REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1jz0_1_H DATA FIRST_RESID 3 DATA SEQUENCE ITDSLAVVLQ RRDWENPGVT QLNRLAAHPP FASWRNSEEA RTDRPSQQLR DATA SEQUENCE SLNGEWRFAW FPAPEAVPES WLECDLPEAD TVVVPSNWQM HGYDAPIYTN DATA SEQUENCE VTYPITVNPP FVPTENPTGC YSLTFNVDES WLQEGQTRII FDGVNSAFHL DATA SEQUENCE WCNGRWVGYG QDSRLPSEFD LSAFLRAGEN RLAVMVLRWS DGSYLEDQDM DATA SEQUENCE WRMSGIFRDV SLLHKPTTQI SDFHVATRFN DDFSRAVLEA EVQMCGELRD DATA SEQUENCE YLRVTVSLWQ GETQVASGTA PFGGEIIDER GGYADRVTLR LNVENPKLWS DATA SEQUENCE AEIPNLYRAV VELHTADGTL IEAEACDVGF REVRIENGLL LLNGKPLLIR DATA SEQUENCE GVNRHEHHPL HGQVMDEQTM VQDILLMKQN NFNAVRCSHY PNHPLWYTLC DATA SEQUENCE DRYGLYVVDE ANIETHGMVP MNRLTDDPRW LPAMSERVTR MVQRDRNHPS DATA SEQUENCE VIIWSLGNES GHGANHDALY RWIKSVDPSR PVQYEGGGAD TTATDIICPM DATA SEQUENCE YARVDEDQPF PAVPKWSIKK WLSLPGETRP LILCEYAHAM GNSLGGFAKY DATA SEQUENCE WQAFRQYPRL QGGFVWDWVD QSLIKYDENG NPWSAYGGDF GDTPNDRQFC DATA SEQUENCE MNGLVFADRT PHPALTEAKH QQQFFQFRLS GQTIEVTSEY LFRHSDNELL DATA SEQUENCE HWMVALDGKP LASGEVPLDV APQGKQLIEL PELPQPESAG QLWLTVRVVQ DATA SEQUENCE PNATAWSEAG HISAWQQWRL AENLSVTLPA ASHAIPHLTT SEMDFXIELG DATA SEQUENCE NKRWQFNRQS GFLSQMWIGD KKQLLTPLRD QFTRAPLDND IGVSEATRID DATA SEQUENCE PNAWVERWKA AGHYQAEAAL LQCTADTLAD AVLITTAHAW QHQGKTLFIS DATA SEQUENCE RKTYRIDGSG QMAITVDVEV ASDTPHPARI GLNCQLAQVA ERVNWLGLGP DATA SEQUENCE QENYPDRLTA AXFDRWDLPL SDMYTPYVFP SENGLRCGTR ELNYGPHQWR DATA SEQUENCE GDFQFNISRY SQQQLMETSH RHLLHAEEGT WLNIDGFHMG IGGDDSWSPS DATA SEQUENCE VSAEFQLSAG RYHYQLVWXQ K VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.143 176.117 0.043 0.000 1.063 3 I CA 0.000 61.325 61.300 0.041 0.000 1.566 3 I CB 0.000 38.016 38.000 0.027 0.000 1.214 4 T N -1.956 112.630 114.554 0.053 0.000 3.100 4 T HA 0.205 4.555 4.350 0.000 0.000 0.253 4 T C 0.791 175.528 174.700 0.062 0.000 1.118 4 T CA 0.998 63.116 62.100 0.031 0.000 1.058 4 T CB -0.466 68.417 68.868 0.026 0.000 0.953 4 T HN 0.313 nan 8.240 nan 0.000 0.515 5 D N 2.302 122.795 120.400 0.156 0.000 2.340 5 D HA 0.088 4.729 4.640 0.000 0.000 0.220 5 D C 0.976 177.474 176.300 0.330 0.000 1.039 5 D CA 0.121 54.324 54.000 0.337 0.000 0.866 5 D CB 0.001 41.051 40.800 0.417 0.000 0.913 5 D HN 0.564 nan 8.370 nan 0.000 0.523 6 S N 0.311 116.094 115.700 0.139 0.000 2.549 6 S HA 0.046 4.516 4.470 0.000 0.000 0.283 6 S C 1.373 176.021 174.600 0.080 0.000 1.320 6 S CA -0.648 57.596 58.200 0.073 0.000 1.058 6 S CB 1.069 64.284 63.200 0.025 0.000 0.882 6 S HN -0.116 nan 8.310 nan 0.000 0.498 7 L N 4.145 125.399 121.223 0.051 0.000 1.997 7 L HA -0.127 4.213 4.340 0.000 0.000 0.216 7 L C 3.017 179.905 176.870 0.030 0.000 1.074 7 L CA 2.600 57.477 54.840 0.061 0.000 0.763 7 L CB -1.791 40.262 42.059 -0.009 0.000 0.890 7 L HN 1.000 nan 8.230 nan 0.000 0.434 8 A N -1.377 121.448 122.820 0.010 0.000 1.940 8 A HA -0.238 4.082 4.320 0.000 0.000 0.221 8 A C 2.490 180.070 177.584 -0.006 0.000 1.190 8 A CA 2.435 54.475 52.037 0.005 0.000 0.647 8 A CB -1.064 17.936 19.000 -0.001 0.000 0.821 8 A HN 0.263 nan 8.150 nan 0.000 0.457 9 V N -0.910 118.991 119.914 -0.022 0.000 2.273 9 V HA -0.165 3.955 4.120 0.000 0.000 0.242 9 V C 2.572 178.596 176.094 -0.117 0.000 1.035 9 V CA 1.723 63.988 62.300 -0.058 0.000 1.013 9 V CB -0.396 31.397 31.823 -0.050 0.000 0.652 9 V HN 0.368 nan 8.190 nan 0.000 0.452 10 V N 0.684 120.499 119.914 -0.165 0.000 2.231 10 V HA -0.306 3.814 4.120 0.000 0.000 0.250 10 V C 2.187 178.168 176.094 -0.189 0.000 1.058 10 V CA 2.342 64.434 62.300 -0.347 0.000 1.022 10 V CB -0.756 30.800 31.823 -0.443 0.000 0.640 10 V HN 0.494 nan 8.190 nan 0.000 0.445 11 L N 0.352 121.568 121.223 -0.012 0.000 2.633 11 L HA -0.123 4.217 4.340 0.000 0.000 0.235 11 L C 2.384 179.334 176.870 0.133 0.000 1.163 11 L CA 0.812 55.788 54.840 0.226 0.000 0.859 11 L CB -0.798 41.432 42.059 0.286 0.000 0.973 11 L HN 0.432 nan 8.230 nan 0.000 0.451 12 Q N 1.041 120.841 119.800 -0.001 0.000 2.079 12 Q HA -0.149 4.191 4.340 0.000 0.000 0.200 12 Q C 2.311 178.253 176.000 -0.098 0.000 0.974 12 Q CA 1.491 57.273 55.803 -0.035 0.000 0.840 12 Q CB -0.044 28.662 28.738 -0.054 0.000 0.898 12 Q HN 0.223 nan 8.270 nan 0.000 0.430 13 R N 0.372 120.791 120.500 -0.136 0.000 2.105 13 R HA -0.007 4.333 4.340 0.000 0.000 0.239 13 R C 0.340 176.444 176.300 -0.327 0.000 1.135 13 R CA 1.160 57.144 56.100 -0.193 0.000 0.967 13 R CB -0.265 29.921 30.300 -0.190 0.000 0.861 13 R HN 0.356 nan 8.270 nan 0.000 0.442 14 R N 0.749 120.942 120.500 -0.511 0.000 3.261 14 R HA -0.126 4.214 4.340 0.000 0.000 0.257 14 R C -0.050 175.695 176.300 -0.925 0.000 1.014 14 R CA 0.412 55.734 56.100 -1.296 0.000 0.681 14 R CB -1.206 28.542 30.300 -0.919 0.000 1.155 14 R HN 0.335 nan 8.270 nan 0.000 0.424 15 D N -0.277 119.803 120.400 -0.534 0.000 2.182 15 D HA -0.191 4.449 4.640 0.000 0.000 0.201 15 D C 1.606 177.851 176.300 -0.093 0.000 0.986 15 D CA 1.843 55.631 54.000 -0.353 0.000 0.847 15 D CB -0.153 40.231 40.800 -0.693 0.000 0.942 15 D HN 0.731 nan 8.370 nan 0.000 0.467 16 W N 1.595 122.934 121.300 0.064 0.000 3.204 16 W HA 0.133 4.793 4.660 0.000 0.000 0.249 16 W C 0.459 177.092 176.519 0.190 0.000 1.322 16 W CA -0.114 57.369 57.345 0.229 0.000 1.593 16 W CB -0.245 29.379 29.460 0.275 0.000 1.122 16 W HN -0.166 nan 8.180 nan 0.000 0.710 17 E N 0.941 120.971 120.200 -0.284 0.000 2.995 17 E HA 0.058 4.408 4.350 0.000 0.000 0.203 17 E C -0.773 175.720 176.600 -0.180 0.000 0.980 17 E CA -0.224 56.091 56.400 -0.141 0.000 1.172 17 E CB -0.179 29.474 29.700 -0.078 0.000 1.088 17 E HN 0.094 nan 8.360 nan 0.000 0.463 18 N N 1.225 119.838 118.700 -0.145 0.000 2.594 18 N HA 0.136 4.876 4.740 0.000 0.000 0.280 18 N C -2.243 173.149 175.510 -0.197 0.000 1.156 18 N CA -1.950 50.981 53.050 -0.199 0.000 0.831 18 N CB 1.479 39.852 38.487 -0.190 0.000 1.379 18 N HN -0.234 nan 8.380 nan 0.000 0.536 19 P HA -0.047 nan 4.420 nan 0.000 0.220 19 P C 1.175 178.247 177.300 -0.380 0.000 1.144 19 P CA 1.057 63.833 63.100 -0.541 0.000 0.800 19 P CB 0.131 31.065 31.700 -1.278 0.000 0.772 20 G N -0.596 108.019 108.800 -0.309 0.000 2.484 20 G HA2 0.001 3.961 3.960 0.000 0.000 0.218 20 G HA3 0.001 3.961 3.960 0.000 0.000 0.218 20 G C 0.354 175.183 174.900 -0.118 0.000 1.130 20 G CA 0.208 45.182 45.100 -0.211 0.000 0.784 20 G HN 0.239 nan 8.290 nan 0.000 0.543 21 V N 1.222 121.088 119.914 -0.080 0.000 2.350 21 V HA 0.401 4.521 4.120 0.000 0.000 0.285 21 V C 0.853 177.016 176.094 0.114 0.000 1.014 21 V CA 0.183 62.491 62.300 0.014 0.000 0.831 21 V CB 1.311 33.137 31.823 0.006 0.000 1.000 21 V HN 0.299 nan 8.190 nan 0.000 0.433 22 T N 0.753 115.362 114.554 0.091 0.000 3.003 22 T HA 0.355 4.705 4.350 0.000 0.000 0.261 22 T C 0.235 174.962 174.700 0.044 0.000 1.003 22 T CA 0.234 62.382 62.100 0.080 0.000 0.917 22 T CB 0.401 69.275 68.868 0.009 0.000 1.084 22 T HN 0.704 nan 8.240 nan 0.000 0.522 23 Q N 0.395 120.267 119.800 0.121 0.000 2.687 23 Q HA 0.703 5.043 4.340 0.000 0.000 0.295 23 Q C -2.251 173.877 176.000 0.214 0.000 0.920 23 Q CA -1.065 54.798 55.803 0.100 0.000 0.766 23 Q CB 0.981 29.701 28.738 -0.029 0.000 1.467 23 Q HN 0.239 nan 8.270 nan 0.000 0.415 24 L N 1.728 123.099 121.223 0.247 0.000 2.528 24 L HA 0.560 4.900 4.340 0.000 0.000 0.267 24 L C -0.748 176.266 176.870 0.239 0.000 0.961 24 L CA -0.842 54.160 54.840 0.270 0.000 0.866 24 L CB 1.921 44.244 42.059 0.440 0.000 1.248 24 L HN 0.858 nan 8.230 nan 0.000 0.404 25 N N 0.887 119.686 118.700 0.165 0.000 2.741 25 N HA -0.219 4.521 4.740 0.000 0.000 0.251 25 N C 0.179 175.768 175.510 0.131 0.000 1.112 25 N CA 0.816 53.962 53.050 0.160 0.000 0.750 25 N CB -0.767 37.809 38.487 0.148 0.000 1.119 25 N HN 0.694 nan 8.380 nan 0.000 0.561 26 R N 1.159 121.610 120.500 -0.081 0.000 2.390 26 R HA 0.402 4.742 4.340 0.000 0.000 0.291 26 R C 0.772 176.900 176.300 -0.286 0.000 1.070 26 R CA -0.443 55.340 56.100 -0.529 0.000 1.014 26 R CB 0.612 30.603 30.300 -0.515 0.000 1.007 26 R HN 0.110 nan 8.270 nan 0.000 0.466 27 L N 2.570 123.611 121.223 -0.303 0.000 2.456 27 L HA 0.281 4.621 4.340 0.000 0.000 0.246 27 L C 0.750 177.576 176.870 -0.073 0.000 1.238 27 L CA -0.512 54.262 54.840 -0.111 0.000 0.826 27 L CB 0.230 42.266 42.059 -0.039 0.000 1.150 27 L HN 0.739 nan 8.230 nan 0.000 0.514 28 A N 0.240 123.066 122.820 0.010 0.000 2.322 28 A HA 0.615 4.935 4.320 0.000 0.000 0.269 28 A C 0.105 177.752 177.584 0.105 0.000 1.094 28 A CA -0.174 51.886 52.037 0.039 0.000 0.807 28 A CB 0.544 19.584 19.000 0.067 0.000 1.047 28 A HN 0.758 nan 8.150 nan 0.000 0.487 29 A N 0.824 123.660 122.820 0.027 0.000 2.332 29 A HA 0.693 5.013 4.320 0.000 0.000 0.258 29 A C 0.065 177.644 177.584 -0.008 0.000 1.087 29 A CA 0.564 52.559 52.037 -0.071 0.000 0.802 29 A CB -0.112 18.818 19.000 -0.118 0.000 1.042 29 A HN 2.035 nan 8.150 nan 0.000 0.489 30 H N -2.456 116.528 119.070 -0.143 0.000 2.921 30 H HA 0.545 5.101 4.556 0.000 0.000 0.287 30 H C -3.418 171.683 175.328 -0.378 0.000 1.434 30 H CA -1.510 54.408 56.048 -0.216 0.000 1.178 30 H CB 0.066 29.705 29.762 -0.204 0.000 1.836 30 H HN 0.428 nan 8.280 nan 0.000 0.495 31 P HA 0.208 nan 4.420 nan 0.000 0.272 31 P C -2.609 174.402 177.300 -0.482 0.000 1.240 31 P CA -1.525 61.347 63.100 -0.380 0.000 0.791 31 P CB -0.406 31.056 31.700 -0.395 0.000 0.978 32 P HA 0.073 nan 4.420 nan 0.000 0.261 32 P C -0.769 176.539 177.300 0.013 0.000 1.183 32 P CA 1.006 64.014 63.100 -0.153 0.000 0.761 32 P CB -0.181 31.516 31.700 -0.006 0.000 0.785 33 F N 1.236 121.316 119.950 0.217 0.000 2.538 33 F HA 0.597 5.124 4.527 0.000 0.000 0.325 33 F C 1.138 176.917 175.800 -0.036 0.000 1.066 33 F CA -0.962 57.112 58.000 0.123 0.000 0.946 33 F CB 1.997 41.031 39.000 0.057 0.000 1.199 33 F HN 0.223 nan 8.300 nan 0.000 0.473 34 A N 0.253 123.092 122.820 0.032 0.000 2.140 34 A HA 0.274 4.594 4.320 0.000 0.000 0.199 34 A C 0.879 178.250 177.584 -0.355 0.000 1.416 34 A CA 0.611 52.402 52.037 -0.410 0.000 1.018 34 A CB -0.064 18.117 19.000 -1.364 0.000 1.117 34 A HN 0.820 nan 8.150 nan 0.000 0.480 35 S N -0.594 115.009 115.700 -0.161 0.000 3.748 35 S HA -0.131 4.339 4.470 0.000 0.000 0.329 35 S C 0.018 174.596 174.600 -0.036 0.000 1.104 35 S CA 0.389 58.523 58.200 -0.110 0.000 0.954 35 S CB -1.848 61.254 63.200 -0.164 0.000 0.910 35 S HN 0.504 nan 8.310 nan 0.000 0.494 36 W N 1.122 122.426 121.300 0.007 0.000 2.226 36 W HA 0.116 4.776 4.660 0.000 0.000 0.352 36 W C 1.584 178.102 176.519 -0.002 0.000 1.277 36 W CA -0.009 57.344 57.345 0.014 0.000 1.305 36 W CB 0.104 29.572 29.460 0.013 0.000 1.193 36 W HN 0.354 nan 8.180 nan 0.000 0.596 37 R N 1.222 121.891 120.500 0.282 0.000 2.535 37 R HA 0.084 4.424 4.340 0.000 0.000 0.323 37 R C 0.036 176.419 176.300 0.139 0.000 0.979 37 R CA -0.086 56.111 56.100 0.161 0.000 1.120 37 R CB 0.359 30.723 30.300 0.107 0.000 1.306 37 R HN 0.407 nan 8.270 nan 0.000 0.540 38 N N 0.899 119.701 118.700 0.170 0.000 2.454 38 N HA -0.011 4.729 4.740 0.000 0.000 0.291 38 N C 0.584 176.081 175.510 -0.021 0.000 1.079 38 N CA 0.168 53.262 53.050 0.073 0.000 0.893 38 N CB 2.111 40.635 38.487 0.062 0.000 1.512 38 N HN -0.080 nan 8.380 nan 0.000 0.497 39 S N 3.252 118.919 115.700 -0.055 0.000 2.369 39 S HA -0.218 4.252 4.470 0.000 0.000 0.225 39 S C 1.297 175.748 174.600 -0.249 0.000 1.043 39 S CA 1.341 59.462 58.200 -0.132 0.000 1.074 39 S CB -0.332 62.824 63.200 -0.073 0.000 0.962 39 S HN 0.666 nan 8.310 nan 0.000 0.433 40 E N 1.248 121.331 120.200 -0.196 0.000 2.086 40 E HA -0.178 4.172 4.350 0.000 0.000 0.200 40 E C 2.223 178.649 176.600 -0.290 0.000 1.012 40 E CA 1.687 57.941 56.400 -0.243 0.000 0.812 40 E CB -0.622 28.985 29.700 -0.155 0.000 0.743 40 E HN 0.778 nan 8.360 nan 0.000 0.453 41 E N 0.213 120.273 120.200 -0.233 0.000 2.038 41 E HA -0.194 4.156 4.350 0.000 0.000 0.195 41 E C 2.055 178.235 176.600 -0.700 0.000 1.000 41 E CA 1.168 57.440 56.400 -0.213 0.000 0.803 41 E CB -0.157 29.602 29.700 0.099 0.000 0.750 41 E HN 0.232 nan 8.360 nan 0.000 0.448 42 A N 1.581 123.586 122.820 -1.358 0.000 1.877 42 A HA -0.237 4.083 4.320 0.000 0.000 0.216 42 A C 2.121 179.065 177.584 -1.068 0.000 1.186 42 A CA 1.806 52.490 52.037 -2.254 0.000 0.620 42 A CB -0.583 17.531 19.000 -1.477 0.000 0.822 42 A HN 0.137 nan 8.150 nan 0.000 0.443 43 R N -0.110 119.988 120.500 -0.670 0.000 2.127 43 R HA -0.135 4.205 4.340 0.000 0.000 0.238 43 R C 1.453 177.511 176.300 -0.403 0.000 1.134 43 R CA 2.072 57.865 56.100 -0.512 0.000 0.975 43 R CB -0.420 29.521 30.300 -0.598 0.000 0.865 43 R HN 0.593 nan 8.270 nan 0.000 0.447 44 T N -2.781 111.563 114.554 -0.350 0.000 3.134 44 T HA 0.122 4.472 4.350 0.000 0.000 0.260 44 T C -0.005 174.637 174.700 -0.096 0.000 1.027 44 T CA 0.122 62.103 62.100 -0.198 0.000 0.913 44 T CB 0.264 69.040 68.868 -0.154 0.000 1.046 44 T HN 0.272 nan 8.240 nan 0.000 0.553 45 D N 1.476 121.797 120.400 -0.132 0.000 2.723 45 D HA -0.152 4.488 4.640 0.000 0.000 0.236 45 D C 0.338 176.789 176.300 0.251 0.000 1.138 45 D CA 0.394 54.463 54.000 0.116 0.000 0.676 45 D CB -0.620 40.261 40.800 0.136 0.000 1.069 45 D HN 0.504 nan 8.370 nan 0.000 0.430 46 R N -0.364 120.301 120.500 0.275 0.000 2.745 46 R HA 0.559 4.899 4.340 0.000 0.000 0.251 46 R C -2.083 174.484 176.300 0.445 0.000 1.257 46 R CA -0.941 55.344 56.100 0.308 0.000 1.102 46 R CB -0.373 30.061 30.300 0.224 0.000 1.151 46 R HN 0.136 nan 8.270 nan 0.000 0.571 47 P HA 0.153 nan 4.420 nan 0.000 0.301 47 P C -0.984 176.360 177.300 0.074 0.000 1.337 47 P CA -0.420 62.773 63.100 0.155 0.000 0.889 47 P CB 1.681 33.442 31.700 0.102 0.000 1.050 48 S N 1.843 117.445 115.700 -0.163 0.000 2.508 48 S HA 0.133 4.603 4.470 0.000 0.000 0.284 48 S C 1.048 175.609 174.600 -0.064 0.000 1.192 48 S CA -0.454 57.597 58.200 -0.249 0.000 1.070 48 S CB 0.593 63.358 63.200 -0.725 0.000 1.004 48 S HN 0.320 nan 8.310 nan 0.000 0.493 49 Q N 2.344 122.161 119.800 0.029 0.000 2.369 49 Q HA -0.052 4.288 4.340 0.000 0.000 0.206 49 Q C 0.927 177.071 176.000 0.240 0.000 0.963 49 Q CA 0.521 56.401 55.803 0.128 0.000 0.894 49 Q CB -0.162 28.663 28.738 0.146 0.000 0.965 49 Q HN 0.782 nan 8.270 nan 0.000 0.475 50 Q N 0.529 120.399 119.800 0.116 0.000 2.444 50 Q HA 0.116 4.456 4.340 0.000 0.000 0.206 50 Q C 0.149 176.201 176.000 0.085 0.000 0.948 50 Q CA 0.225 56.075 55.803 0.078 0.000 0.946 50 Q CB -0.056 28.624 28.738 -0.096 0.000 1.027 50 Q HN 0.167 nan 8.270 nan 0.000 0.513 51 L N 1.006 122.299 121.223 0.115 0.000 2.343 51 L HA 0.481 4.821 4.340 0.000 0.000 0.278 51 L C -1.171 175.783 176.870 0.140 0.000 0.996 51 L CA -0.390 54.506 54.840 0.093 0.000 0.831 51 L CB 1.532 43.565 42.059 -0.042 0.000 1.232 51 L HN -0.110 nan 8.230 nan 0.000 0.413 52 R N 2.729 123.334 120.500 0.175 0.000 2.575 52 R HA 0.469 4.809 4.340 0.000 0.000 0.293 52 R C -1.046 175.287 176.300 0.055 0.000 0.983 52 R CA -0.544 55.626 56.100 0.116 0.000 0.887 52 R CB 2.269 32.653 30.300 0.140 0.000 1.184 52 R HN 0.707 nan 8.270 nan 0.000 0.445 53 S N 3.147 118.867 115.700 0.034 0.000 2.562 53 S HA 0.307 4.777 4.470 0.000 0.000 0.275 53 S C 0.859 175.473 174.600 0.023 0.000 1.281 53 S CA -0.528 57.686 58.200 0.023 0.000 1.045 53 S CB 0.565 63.786 63.200 0.035 0.000 0.962 53 S HN 0.566 nan 8.310 nan 0.000 0.503 54 L N 3.492 124.738 121.223 0.039 0.000 2.910 54 L HA 0.299 4.639 4.340 0.000 0.000 0.252 54 L C 0.082 177.155 176.870 0.338 0.000 1.195 54 L CA -0.316 54.588 54.840 0.107 0.000 1.003 54 L CB -0.508 41.588 42.059 0.062 0.000 1.328 54 L HN 0.521 nan 8.230 nan 0.000 0.540 55 N N 1.694 120.511 118.700 0.194 0.000 2.513 55 N HA 0.481 5.221 4.740 0.000 0.000 0.268 55 N C 0.641 176.297 175.510 0.243 0.000 1.180 55 N CA 0.757 53.920 53.050 0.188 0.000 0.948 55 N CB 1.791 40.319 38.487 0.069 0.000 1.083 55 N HN 0.337 nan 8.380 nan 0.000 0.455 56 G N 0.923 109.907 108.800 0.307 0.000 2.403 56 G HA2 -0.050 3.910 3.960 0.000 0.000 0.223 56 G HA3 -0.050 3.910 3.960 0.000 0.000 0.223 56 G C -1.377 173.778 174.900 0.424 0.000 1.287 56 G CA -0.765 44.504 45.100 0.282 0.000 0.982 56 G HN 0.452 nan 8.290 nan 0.000 0.471 57 E N -0.414 119.978 120.200 0.320 0.000 2.338 57 E HA 0.516 4.866 4.350 0.000 0.000 0.272 57 E C -1.061 175.791 176.600 0.420 0.000 1.029 57 E CA 0.037 56.626 56.400 0.314 0.000 0.872 57 E CB 0.775 30.575 29.700 0.167 0.000 1.015 57 E HN 0.390 nan 8.360 nan 0.000 0.417 58 W N 1.395 122.770 121.300 0.125 0.000 3.038 58 W HA 0.408 5.068 4.660 0.000 0.000 0.347 58 W C -0.571 176.049 176.519 0.169 0.000 1.219 58 W CA -0.688 56.759 57.345 0.171 0.000 1.142 58 W CB 1.005 30.614 29.460 0.249 0.000 1.484 58 W HN 0.273 nan 8.180 nan 0.000 0.586 59 R N 1.605 122.363 120.500 0.430 0.000 2.460 59 R HA 0.643 4.983 4.340 0.000 0.000 0.303 59 R C -1.520 174.971 176.300 0.317 0.000 0.968 59 R CA -0.834 55.448 56.100 0.304 0.000 0.889 59 R CB 1.990 32.411 30.300 0.201 0.000 1.123 59 R HN 0.368 nan 8.270 nan 0.000 0.455 60 F N 1.123 121.072 119.950 -0.002 0.000 2.563 60 F HA 0.697 5.224 4.527 0.000 0.000 0.316 60 F C -1.387 174.263 175.800 -0.250 0.000 1.076 60 F CA -0.684 57.172 58.000 -0.240 0.000 0.921 60 F CB 2.089 40.803 39.000 -0.476 0.000 1.209 60 F HN 0.657 nan 8.300 nan 0.000 0.462 61 A N 4.473 126.336 122.820 -1.594 0.000 2.517 61 A HA 0.522 4.842 4.320 0.000 0.000 0.297 61 A C -2.421 174.282 177.584 -1.468 0.000 1.050 61 A CA -0.519 50.783 52.037 -1.224 0.000 0.694 61 A CB 0.526 19.220 19.000 -0.509 0.000 1.277 61 A HN 0.968 nan 8.150 nan 0.000 0.400 62 W N 2.649 123.172 121.300 -1.295 0.000 2.551 62 W HA 0.779 5.439 4.660 0.000 0.000 0.330 62 W C -1.900 174.142 176.519 -0.795 0.000 1.063 62 W CA -0.437 56.367 57.345 -0.903 0.000 1.222 62 W CB 1.202 30.318 29.460 -0.574 0.000 1.349 62 W HN 0.494 nan 8.180 nan 0.000 0.536 63 F N 5.794 125.099 119.950 -1.074 0.000 2.578 63 F HA 0.335 4.862 4.527 0.000 0.000 0.311 63 F C -1.388 173.539 175.800 -1.455 0.000 1.094 63 F CA -2.669 54.816 58.000 -0.857 0.000 0.923 63 F CB 1.478 40.156 39.000 -0.537 0.000 1.230 63 F HN 0.193 nan 8.300 nan 0.000 0.450 64 P HA 0.027 nan 4.420 nan 0.000 0.225 64 P C -0.186 177.014 177.300 -0.167 0.000 1.148 64 P CA 1.117 64.034 63.100 -0.304 0.000 0.779 64 P CB 0.548 32.317 31.700 0.115 0.000 0.780 65 A N -1.240 121.483 122.820 -0.162 0.000 2.599 65 A HA 0.503 4.823 4.320 0.000 0.000 0.294 65 A C -2.411 175.071 177.584 -0.171 0.000 1.055 65 A CA -1.003 50.969 52.037 -0.107 0.000 0.683 65 A CB 0.488 19.488 19.000 -0.001 0.000 1.278 65 A HN -0.289 nan 8.150 nan 0.000 0.412 66 P HA -0.146 nan 4.420 nan 0.000 0.215 66 P C 0.891 178.080 177.300 -0.185 0.000 1.153 66 P CA 1.775 64.726 63.100 -0.248 0.000 0.853 66 P CB 0.199 31.724 31.700 -0.291 0.000 0.788 67 E N 0.709 120.866 120.200 -0.073 0.000 2.070 67 E HA -0.166 4.184 4.350 0.000 0.000 0.197 67 E C 2.271 178.830 176.600 -0.068 0.000 1.004 67 E CA 1.758 58.140 56.400 -0.031 0.000 0.805 67 E CB -1.285 28.433 29.700 0.030 0.000 0.744 67 E HN 0.184 nan 8.360 nan 0.000 0.451 68 A N 1.113 123.899 122.820 -0.057 0.000 2.139 68 A HA -0.098 4.222 4.320 0.000 0.000 0.221 68 A C 0.995 178.466 177.584 -0.188 0.000 1.159 68 A CA 0.561 52.594 52.037 -0.006 0.000 0.662 68 A CB -0.599 18.493 19.000 0.154 0.000 0.796 68 A HN 0.078 nan 8.150 nan 0.000 0.463 69 V N 1.968 121.597 119.914 -0.475 0.000 2.655 69 V HA 0.209 4.329 4.120 0.000 0.000 0.300 69 V C -2.069 173.844 176.094 -0.302 0.000 1.044 69 V CA -1.200 60.652 62.300 -0.748 0.000 1.095 69 V CB 0.638 31.901 31.823 -0.934 0.000 0.952 69 V HN 0.351 nan 8.190 nan 0.000 0.485 70 P HA 0.337 nan 4.420 nan 0.000 0.296 70 P C 0.391 177.681 177.300 -0.016 0.000 1.306 70 P CA -0.546 62.524 63.100 -0.050 0.000 0.818 70 P CB 1.640 33.356 31.700 0.027 0.000 0.969 71 E N 1.874 122.056 120.200 -0.029 0.000 2.169 71 E HA -0.232 4.118 4.350 0.000 0.000 0.202 71 E C 1.634 178.202 176.600 -0.053 0.000 1.016 71 E CA 2.418 58.790 56.400 -0.047 0.000 0.817 71 E CB -0.274 29.399 29.700 -0.046 0.000 0.736 71 E HN 0.453 nan 8.360 nan 0.000 0.462 72 S N -0.233 115.459 115.700 -0.013 0.000 2.400 72 S HA -0.224 4.246 4.470 0.000 0.000 0.232 72 S C 1.441 176.025 174.600 -0.027 0.000 1.025 72 S CA 1.046 59.236 58.200 -0.016 0.000 0.993 72 S CB -0.734 62.481 63.200 0.024 0.000 0.808 72 S HN 0.545 nan 8.310 nan 0.000 0.478 73 W N 2.730 123.941 121.300 -0.149 0.000 2.308 73 W HA -0.177 4.483 4.660 0.000 0.000 0.301 73 W C 1.594 177.995 176.519 -0.196 0.000 1.220 73 W CA 1.044 58.290 57.345 -0.165 0.000 1.240 73 W CB -0.666 28.664 29.460 -0.217 0.000 1.142 73 W HN 0.252 nan 8.180 nan 0.000 0.521 74 L N 0.045 120.960 121.223 -0.513 0.000 2.083 74 L HA -0.214 4.126 4.340 0.000 0.000 0.209 74 L C 2.620 179.206 176.870 -0.474 0.000 1.083 74 L CA 1.520 55.938 54.840 -0.704 0.000 0.752 74 L CB -0.748 40.972 42.059 -0.565 0.000 0.899 74 L HN -0.066 nan 8.230 nan 0.000 0.433 75 E N -1.093 118.930 120.200 -0.296 0.000 2.057 75 E HA 0.053 4.403 4.350 0.000 0.000 0.190 75 E C 0.347 176.854 176.600 -0.155 0.000 0.969 75 E CA 0.512 56.804 56.400 -0.181 0.000 0.812 75 E CB 0.111 29.744 29.700 -0.111 0.000 0.777 75 E HN 0.336 nan 8.360 nan 0.000 0.455 76 C N 1.547 120.772 119.300 -0.125 0.000 2.712 76 C HA 0.371 4.831 4.460 0.000 0.000 0.308 76 C C -0.076 174.907 174.990 -0.012 0.000 1.201 76 C CA -1.326 57.654 59.018 -0.064 0.000 1.554 76 C CB 1.680 29.407 27.740 -0.022 0.000 2.117 76 C HN 0.232 nan 8.230 nan 0.000 0.480 77 D N 1.194 121.607 120.400 0.021 0.000 2.378 77 D HA 0.237 4.877 4.640 0.000 0.000 0.238 77 D C -0.048 176.329 176.300 0.128 0.000 1.180 77 D CA 0.421 54.486 54.000 0.108 0.000 0.895 77 D CB 0.607 41.458 40.800 0.086 0.000 1.192 77 D HN 0.342 nan 8.370 nan 0.000 0.438 78 L N 2.231 123.555 121.223 0.168 0.000 2.439 78 L HA 0.203 4.543 4.340 0.000 0.000 0.259 78 L C -1.108 175.802 176.870 0.065 0.000 1.129 78 L CA -1.567 53.342 54.840 0.115 0.000 0.803 78 L CB 0.583 42.711 42.059 0.115 0.000 1.161 78 L HN 0.236 nan 8.230 nan 0.000 0.462 79 P HA -0.087 nan 4.420 nan 0.000 0.215 79 P C 0.574 177.885 177.300 0.018 0.000 1.157 79 P CA 1.058 64.175 63.100 0.027 0.000 0.856 79 P CB 0.160 31.872 31.700 0.020 0.000 0.786 80 E N 0.036 120.240 120.200 0.005 0.000 2.485 80 E HA 0.274 4.624 4.350 0.000 0.000 0.194 80 E C 0.708 177.292 176.600 -0.026 0.000 1.098 80 E CA -0.127 56.262 56.400 -0.018 0.000 0.878 80 E CB -0.681 28.992 29.700 -0.045 0.000 0.939 80 E HN 0.206 nan 8.360 nan 0.000 0.503 81 A N 1.133 123.952 122.820 -0.001 0.000 2.351 81 A HA 0.206 4.526 4.320 0.000 0.000 0.257 81 A C -0.094 177.514 177.584 0.040 0.000 1.087 81 A CA -0.425 51.611 52.037 -0.001 0.000 0.798 81 A CB 0.489 19.517 19.000 0.046 0.000 1.033 81 A HN 0.061 nan 8.150 nan 0.000 0.488 82 D N 0.004 120.449 120.400 0.075 0.000 2.299 82 D HA 0.433 5.073 4.640 0.000 0.000 0.243 82 D C -0.746 175.640 176.300 0.143 0.000 0.982 82 D CA -0.098 53.977 54.000 0.125 0.000 0.924 82 D CB 1.741 42.669 40.800 0.214 0.000 1.238 82 D HN 0.418 nan 8.370 nan 0.000 0.484 83 T N 0.873 115.498 114.554 0.118 0.000 2.799 83 T HA 0.473 4.823 4.350 0.000 0.000 0.286 83 T C -0.125 174.643 174.700 0.114 0.000 0.973 83 T CA -0.389 61.787 62.100 0.127 0.000 1.035 83 T CB 1.052 69.978 68.868 0.096 0.000 0.932 83 T HN 0.059 nan 8.240 nan 0.000 0.469 84 V N 3.251 123.260 119.914 0.158 0.000 3.078 84 V HA 0.501 4.621 4.120 0.000 0.000 0.311 84 V C -0.382 175.810 176.094 0.164 0.000 1.138 84 V CA -0.954 61.405 62.300 0.098 0.000 1.007 84 V CB 2.440 34.313 31.823 0.084 0.000 1.045 84 V HN 0.639 nan 8.190 nan 0.000 0.432 85 V N 2.388 122.367 119.914 0.107 0.000 2.509 85 V HA 0.523 4.643 4.120 0.000 0.000 0.284 85 V C -0.203 175.941 176.094 0.084 0.000 1.047 85 V CA -0.378 61.995 62.300 0.122 0.000 0.952 85 V CB 1.553 33.422 31.823 0.077 0.000 0.988 85 V HN 0.562 nan 8.190 nan 0.000 0.469 86 V N 7.043 126.952 119.914 -0.008 0.000 2.540 86 V HA 0.518 4.638 4.120 0.000 0.000 0.302 86 V C -2.245 173.757 176.094 -0.152 0.000 1.035 86 V CA -1.569 60.605 62.300 -0.210 0.000 0.873 86 V CB 2.657 34.025 31.823 -0.759 0.000 0.992 86 V HN 0.797 nan 8.190 nan 0.000 0.428 87 P HA 0.657 nan 4.420 nan 0.000 0.281 87 P C -0.991 176.266 177.300 -0.072 0.000 1.264 87 P CA -0.373 62.634 63.100 -0.154 0.000 0.824 87 P CB 1.847 33.457 31.700 -0.150 0.000 1.092 88 S N -0.560 115.122 115.700 -0.031 0.000 2.656 88 S HA 0.386 4.856 4.470 0.000 0.000 0.265 88 S C -1.523 173.065 174.600 -0.021 0.000 1.110 88 S CA -0.995 57.185 58.200 -0.032 0.000 0.821 88 S CB 0.005 63.211 63.200 0.011 0.000 1.099 88 S HN 0.366 nan 8.310 nan 0.000 0.471 89 N N 0.981 119.590 118.700 -0.151 0.000 2.392 89 N HA 0.469 5.209 4.740 0.000 0.000 0.283 89 N C 0.388 175.769 175.510 -0.215 0.000 1.003 89 N CA -0.734 52.192 53.050 -0.207 0.000 0.892 89 N CB 0.795 39.102 38.487 -0.300 0.000 1.193 89 N HN 0.827 nan 8.380 nan 0.000 0.487 90 W N 2.740 123.923 121.300 -0.194 0.000 2.392 90 W HA -0.061 4.599 4.660 0.000 0.000 0.279 90 W C 0.864 177.370 176.519 -0.022 0.000 1.225 90 W CA 0.903 58.147 57.345 -0.170 0.000 1.233 90 W CB -0.369 28.905 29.460 -0.309 0.000 1.122 90 W HN 0.485 nan 8.180 nan 0.000 0.561 91 Q N 0.418 120.217 119.800 -0.003 0.000 2.291 91 Q HA -0.121 4.219 4.340 0.000 0.000 0.206 91 Q C 1.981 177.958 176.000 -0.039 0.000 0.976 91 Q CA 1.520 57.344 55.803 0.035 0.000 0.875 91 Q CB -0.685 27.950 28.738 -0.171 0.000 0.927 91 Q HN 0.212 nan 8.270 nan 0.000 0.450 92 M N -0.779 118.718 119.600 -0.172 0.000 2.630 92 M HA -0.043 4.437 4.480 0.000 0.000 0.254 92 M C 0.326 176.558 176.300 -0.113 0.000 1.092 92 M CA 1.230 56.394 55.300 -0.227 0.000 1.087 92 M CB -0.540 31.846 32.600 -0.357 0.000 1.453 92 M HN 0.329 nan 8.290 nan 0.000 0.509 93 H N -1.754 117.377 119.070 0.101 0.000 2.581 93 H HA 0.381 4.937 4.556 0.000 0.000 0.275 93 H C 1.275 176.510 175.328 -0.155 0.000 1.126 93 H CA 0.100 56.180 56.048 0.054 0.000 1.097 93 H CB 0.539 30.463 29.762 0.271 0.000 1.626 93 H HN 0.465 nan 8.280 nan 0.000 0.565 94 G N 0.581 109.402 108.800 0.036 0.000 2.199 94 G HA2 -0.425 3.535 3.960 0.000 0.000 0.254 94 G HA3 -0.425 3.535 3.960 0.000 0.000 0.254 94 G C 0.632 175.433 174.900 -0.165 0.000 0.982 94 G CA 0.628 45.665 45.100 -0.105 0.000 0.632 94 G HN 0.470 nan 8.290 nan 0.000 0.529 95 Y N 1.998 122.319 120.300 0.036 0.000 2.151 95 Y HA 0.160 4.710 4.550 0.000 0.000 0.284 95 Y C 1.760 177.451 175.900 -0.349 0.000 1.166 95 Y CA 1.749 59.734 58.100 -0.190 0.000 1.163 95 Y CB -0.189 38.156 38.460 -0.191 0.000 0.974 95 Y HN 0.681 nan 8.280 nan 0.000 0.511 96 D N -2.582 117.939 120.400 0.202 0.000 2.768 96 D HA 0.510 5.150 4.640 0.000 0.000 0.327 96 D C -1.182 175.237 176.300 0.198 0.000 1.302 96 D CA -0.700 53.418 54.000 0.196 0.000 0.897 96 D CB 0.651 41.717 40.800 0.444 0.000 1.420 96 D HN 0.031 nan 8.370 nan 0.000 0.494 97 A N -0.294 122.644 122.820 0.196 0.000 2.327 97 A HA 0.685 5.005 4.320 0.000 0.000 0.283 97 A C -2.401 175.231 177.584 0.081 0.000 1.127 97 A CA -1.057 51.073 52.037 0.155 0.000 0.810 97 A CB 0.014 19.150 19.000 0.227 0.000 1.066 97 A HN 0.478 nan 8.150 nan 0.000 0.492 98 P HA 0.569 nan 4.420 nan 0.000 0.286 98 P C -1.048 176.381 177.300 0.216 0.000 1.261 98 P CA -0.199 62.842 63.100 -0.097 0.000 0.821 98 P CB 0.967 32.345 31.700 -0.538 0.000 1.013 99 I N 2.380 123.172 120.570 0.369 0.000 2.474 99 I HA 0.320 4.490 4.170 0.000 0.000 0.294 99 I C -0.443 175.891 176.117 0.361 0.000 1.005 99 I CA -0.810 60.722 61.300 0.387 0.000 1.113 99 I CB 1.472 39.621 38.000 0.247 0.000 1.289 99 I HN 0.273 nan 8.210 nan 0.000 0.436 100 Y N 5.386 125.679 120.300 -0.012 0.000 2.712 100 Y HA 0.583 5.133 4.550 0.000 0.000 0.328 100 Y C -0.343 175.416 175.900 -0.234 0.000 0.995 100 Y CA -0.291 57.515 58.100 -0.489 0.000 1.283 100 Y CB 0.904 38.414 38.460 -1.584 0.000 1.092 100 Y HN 0.631 nan 8.280 nan 0.000 0.519 101 T N 4.174 118.209 114.554 -0.866 0.000 2.887 101 T HA 0.253 4.603 4.350 0.000 0.000 0.288 101 T C 0.370 174.587 174.700 -0.805 0.000 1.021 101 T CA -0.541 61.094 62.100 -0.775 0.000 1.000 101 T CB 1.416 70.061 68.868 -0.373 0.000 1.034 101 T HN 0.869 nan 8.240 nan 0.000 0.467 102 N N 2.027 120.330 118.700 -0.661 0.000 2.324 102 N HA 0.021 4.761 4.740 0.000 0.000 0.192 102 N C 1.360 176.619 175.510 -0.419 0.000 1.046 102 N CA 0.559 53.360 53.050 -0.414 0.000 0.898 102 N CB 0.260 38.528 38.487 -0.366 0.000 1.079 102 N HN 0.350 nan 8.380 nan 0.000 0.456 103 V N 0.397 119.989 119.914 -0.537 0.000 2.627 103 V HA 0.079 4.199 4.120 0.000 0.000 0.239 103 V C 0.551 176.309 176.094 -0.560 0.000 1.077 103 V CA 0.662 62.542 62.300 -0.700 0.000 1.103 103 V CB -0.020 31.352 31.823 -0.752 0.000 0.802 103 V HN 0.277 nan 8.190 nan 0.000 0.482 104 T N 1.333 115.636 114.554 -0.418 0.000 2.867 104 T HA 0.130 4.480 4.350 0.000 0.000 0.297 104 T C -0.410 174.139 174.700 -0.253 0.000 0.989 104 T CA 0.358 62.286 62.100 -0.287 0.000 1.159 104 T CB -0.334 68.408 68.868 -0.211 0.000 0.928 104 T HN 0.188 nan 8.240 nan 0.000 0.538 105 Y N 4.786 124.984 120.300 -0.170 0.000 2.610 105 Y HA 0.109 4.659 4.550 0.000 0.000 0.332 105 Y C -0.999 174.770 175.900 -0.219 0.000 1.201 105 Y CA -1.862 56.125 58.100 -0.188 0.000 1.465 105 Y CB 0.398 38.748 38.460 -0.183 0.000 1.283 105 Y HN 0.559 nan 8.280 nan 0.000 0.563 106 P HA -0.125 nan 4.420 nan 0.000 0.218 106 P C 0.184 177.300 177.300 -0.307 0.000 1.149 106 P CA 1.346 64.334 63.100 -0.187 0.000 0.817 106 P CB 0.174 31.738 31.700 -0.227 0.000 0.785 107 I N -4.525 115.781 120.570 -0.441 0.000 3.205 107 I HA 0.445 4.615 4.170 0.000 0.000 0.310 107 I C -0.447 175.533 176.117 -0.229 0.000 1.089 107 I CA -0.992 60.040 61.300 -0.447 0.000 1.023 107 I CB 1.282 38.841 38.000 -0.735 0.000 1.269 107 I HN -0.397 nan 8.210 nan 0.000 0.512 108 T N 2.350 116.812 114.554 -0.154 0.000 2.907 108 T HA 0.246 4.596 4.350 0.000 0.000 0.298 108 T C 0.124 174.815 174.700 -0.016 0.000 1.017 108 T CA -0.413 61.655 62.100 -0.052 0.000 1.118 108 T CB 1.063 69.927 68.868 -0.006 0.000 0.948 108 T HN 0.392 nan 8.240 nan 0.000 0.531 109 V N 4.346 124.273 119.914 0.022 0.000 2.352 109 V HA 0.267 4.387 4.120 0.000 0.000 0.253 109 V C 0.653 176.811 176.094 0.105 0.000 1.083 109 V CA -0.267 62.077 62.300 0.072 0.000 0.993 109 V CB -0.622 31.231 31.823 0.050 0.000 1.111 109 V HN 0.862 nan 8.190 nan 0.000 0.490 110 N N 5.313 124.137 118.700 0.207 0.000 2.679 110 N HA 0.244 4.984 4.740 0.000 0.000 0.240 110 N C -2.974 172.621 175.510 0.142 0.000 1.537 110 N CA -1.185 51.973 53.050 0.180 0.000 0.793 110 N CB 1.463 40.106 38.487 0.261 0.000 1.391 110 N HN 0.283 nan 8.380 nan 0.000 0.524 111 P HA 0.189 nan 4.420 nan 0.000 0.266 111 P C -2.348 174.653 177.300 -0.498 0.000 1.195 111 P CA -0.738 61.918 63.100 -0.741 0.000 0.768 111 P CB 0.369 31.374 31.700 -1.159 0.000 0.838 112 P HA 0.262 nan 4.420 nan 0.000 0.248 112 P C -0.743 176.420 177.300 -0.228 0.000 1.708 112 P CA -0.276 62.575 63.100 -0.415 0.000 1.062 112 P CB -0.286 31.183 31.700 -0.386 0.000 1.562 113 F N -0.366 119.719 119.950 0.225 0.000 2.404 113 F HA 0.292 4.819 4.527 0.000 0.000 0.345 113 F C 1.055 177.031 175.800 0.294 0.000 1.110 113 F CA -1.173 56.965 58.000 0.229 0.000 1.130 113 F CB 1.298 40.375 39.000 0.128 0.000 1.129 113 F HN -0.291 nan 8.300 nan 0.000 0.500 114 V N 4.208 124.419 119.914 0.496 0.000 2.863 114 V HA 0.345 4.465 4.120 0.000 0.000 0.307 114 V C -1.856 174.424 176.094 0.310 0.000 1.061 114 V CA -1.797 60.720 62.300 0.361 0.000 1.024 114 V CB 1.519 33.652 31.823 0.516 0.000 1.049 114 V HN 0.542 nan 8.190 nan 0.000 0.471 115 P HA 0.096 nan 4.420 nan 0.000 0.274 115 P C 0.802 178.256 177.300 0.257 0.000 1.231 115 P CA 0.050 63.258 63.100 0.181 0.000 0.790 115 P CB 0.603 32.369 31.700 0.109 0.000 0.951 116 T N -0.259 114.411 114.554 0.192 0.000 2.759 116 T HA -0.168 4.182 4.350 0.000 0.000 0.269 116 T C 0.314 175.128 174.700 0.190 0.000 1.042 116 T CA 1.259 63.472 62.100 0.188 0.000 1.140 116 T CB -0.638 68.305 68.868 0.126 0.000 0.864 116 T HN 0.398 nan 8.240 nan 0.000 0.455 117 E N 2.821 123.137 120.200 0.194 0.000 1.963 117 E HA 0.428 4.778 4.350 0.000 0.000 0.274 117 E C -0.671 176.084 176.600 0.259 0.000 1.061 117 E CA -0.313 56.202 56.400 0.192 0.000 0.847 117 E CB 0.440 30.259 29.700 0.197 0.000 1.083 117 E HN 0.442 nan 8.360 nan 0.000 0.402 118 N N 3.347 122.153 118.700 0.177 0.000 2.540 118 N HA 0.295 5.035 4.740 0.000 0.000 0.275 118 N C -2.818 172.666 175.510 -0.043 0.000 1.053 118 N CA -2.682 50.472 53.050 0.174 0.000 0.876 118 N CB 1.205 39.853 38.487 0.268 0.000 1.284 118 N HN -0.028 nan 8.380 nan 0.000 0.518 119 P HA -0.009 nan 4.420 nan 0.000 0.253 119 P C -0.722 176.456 177.300 -0.204 0.000 1.170 119 P CA 0.586 63.583 63.100 -0.172 0.000 0.806 119 P CB -0.040 31.844 31.700 0.306 0.000 0.775 120 T N 2.763 116.995 114.554 -0.538 0.000 2.829 120 T HA 0.581 4.931 4.350 0.000 0.000 0.282 120 T C 0.597 174.883 174.700 -0.691 0.000 0.990 120 T CA -0.469 61.375 62.100 -0.426 0.000 1.028 120 T CB 1.529 70.154 68.868 -0.405 0.000 0.951 120 T HN 0.301 nan 8.240 nan 0.000 0.460 121 G N 0.976 109.516 108.800 -0.433 0.000 2.605 121 G HA2 0.487 4.447 3.960 0.000 0.000 0.304 121 G HA3 0.487 4.447 3.960 0.000 0.000 0.304 121 G C -0.379 174.460 174.900 -0.100 0.000 1.333 121 G CA -0.486 44.356 45.100 -0.429 0.000 0.973 121 G HN 0.904 nan 8.290 nan 0.000 0.507 122 C N 3.072 122.027 119.300 -0.575 0.000 2.246 122 C HA 0.514 4.974 4.460 0.000 0.000 0.329 122 C C -0.577 174.359 174.990 -0.089 0.000 1.221 122 C CA -1.139 57.529 59.018 -0.583 0.000 1.697 122 C CB -1.696 25.037 27.740 -1.680 0.000 2.312 122 C HN 0.595 nan 8.230 nan 0.000 0.509 123 Y N 1.697 122.211 120.300 0.356 0.000 2.387 123 Y HA 0.629 5.179 4.550 0.000 0.000 0.336 123 Y C 0.725 177.098 175.900 0.789 0.000 1.067 123 Y CA -0.514 57.953 58.100 0.613 0.000 1.114 123 Y CB 1.383 40.199 38.460 0.594 0.000 1.208 123 Y HN 0.701 nan 8.280 nan 0.000 0.458 124 S N 3.079 119.274 115.700 0.825 0.000 2.546 124 S HA 0.832 5.302 4.470 0.000 0.000 0.274 124 S C -1.557 173.124 174.600 0.135 0.000 1.121 124 S CA -0.884 57.604 58.200 0.481 0.000 0.887 124 S CB 2.341 65.780 63.200 0.398 0.000 1.094 124 S HN 0.672 nan 8.310 nan 0.000 0.474 125 L N 0.828 121.983 121.223 -0.113 0.000 2.565 125 L HA 0.663 5.003 4.340 0.000 0.000 0.261 125 L C -1.536 175.303 176.870 -0.052 0.000 0.932 125 L CA 0.004 54.603 54.840 -0.401 0.000 0.878 125 L CB 2.192 43.398 42.059 -1.422 0.000 1.333 125 L HN 0.770 nan 8.230 nan 0.000 0.409 126 T N 5.298 119.840 114.554 -0.021 0.000 2.794 126 T HA 0.780 5.130 4.350 0.000 0.000 0.280 126 T C -0.884 173.909 174.700 0.154 0.000 0.987 126 T CA -0.080 62.055 62.100 0.058 0.000 0.993 126 T CB 0.618 69.466 68.868 -0.034 0.000 0.939 126 T HN 0.488 nan 8.240 nan 0.000 0.449 127 F N 0.679 120.548 119.950 -0.135 0.000 2.741 127 F HA 0.694 5.221 4.527 0.000 0.000 0.313 127 F C -1.044 174.699 175.800 -0.096 0.000 1.153 127 F CA -1.508 56.418 58.000 -0.122 0.000 0.931 127 F CB 1.261 40.177 39.000 -0.139 0.000 1.335 127 F HN 0.273 nan 8.300 nan 0.000 0.460 128 N N -0.131 118.521 118.700 -0.081 0.000 2.466 128 N HA 0.751 5.491 4.740 0.000 0.000 0.294 128 N C -1.740 173.719 175.510 -0.085 0.000 1.129 128 N CA -0.621 52.338 53.050 -0.152 0.000 0.931 128 N CB 2.214 40.641 38.487 -0.101 0.000 1.193 128 N HN 0.591 nan 8.380 nan 0.000 0.500 129 V N 0.958 120.779 119.914 -0.155 0.000 2.577 129 V HA 0.260 4.380 4.120 0.000 0.000 0.303 129 V C -0.587 175.381 176.094 -0.211 0.000 1.042 129 V CA -1.030 61.170 62.300 -0.166 0.000 0.872 129 V CB 1.541 33.322 31.823 -0.070 0.000 0.998 129 V HN 0.671 nan 8.190 nan 0.000 0.423 130 D N 3.405 123.579 120.400 -0.376 0.000 2.455 130 D HA -0.012 4.628 4.640 0.000 0.000 0.241 130 D C 1.274 177.491 176.300 -0.139 0.000 1.138 130 D CA 0.181 54.010 54.000 -0.285 0.000 0.877 130 D CB 1.300 41.880 40.800 -0.367 0.000 1.187 130 D HN 0.821 nan 8.370 nan 0.000 0.451 131 E N 2.592 122.758 120.200 -0.057 0.000 2.274 131 E HA -0.204 4.146 4.350 0.000 0.000 0.194 131 E C 1.399 178.039 176.600 0.066 0.000 0.996 131 E CA 0.917 57.325 56.400 0.014 0.000 0.840 131 E CB -0.172 29.533 29.700 0.008 0.000 0.772 131 E HN 0.435 nan 8.360 nan 0.000 0.491 132 S N 0.337 116.070 115.700 0.055 0.000 2.380 132 S HA -0.205 4.265 4.470 0.000 0.000 0.229 132 S C 1.557 176.260 174.600 0.172 0.000 1.043 132 S CA 1.490 59.756 58.200 0.109 0.000 1.038 132 S CB -0.746 62.525 63.200 0.119 0.000 0.872 132 S HN 0.539 nan 8.310 nan 0.000 0.456 133 W N 1.213 122.381 121.300 -0.220 0.000 2.402 133 W HA 0.240 4.900 4.660 0.000 0.000 0.286 133 W C 2.274 178.750 176.519 -0.072 0.000 1.221 133 W CA 0.134 57.220 57.345 -0.431 0.000 1.257 133 W CB -0.962 28.269 29.460 -0.382 0.000 1.120 133 W HN 0.327 nan 8.180 nan 0.000 0.551 134 L N -0.273 121.091 121.223 0.235 0.000 2.291 134 L HA -0.188 4.152 4.340 0.000 0.000 0.214 134 L C 2.246 179.197 176.870 0.135 0.000 1.120 134 L CA 0.987 55.933 54.840 0.176 0.000 0.799 134 L CB -0.357 41.771 42.059 0.116 0.000 0.925 134 L HN 0.027 nan 8.230 nan 0.000 0.446 135 Q N -0.324 119.549 119.800 0.122 0.000 1.864 135 Q HA -0.098 4.242 4.340 0.000 0.000 0.219 135 Q C 0.898 176.960 176.000 0.103 0.000 0.975 135 Q CA 0.964 56.823 55.803 0.094 0.000 0.862 135 Q CB -0.114 28.671 28.738 0.078 0.000 0.913 135 Q HN 0.230 nan 8.270 nan 0.000 0.431 136 E N 0.673 120.945 120.200 0.120 0.000 2.292 136 E HA 0.399 4.749 4.350 0.000 0.000 0.258 136 E C 0.489 177.188 176.600 0.164 0.000 1.115 136 E CA 0.135 56.602 56.400 0.111 0.000 0.929 136 E CB 0.476 30.226 29.700 0.084 0.000 1.161 136 E HN 0.411 nan 8.360 nan 0.000 0.453 137 G N 0.595 109.417 108.800 0.036 0.000 2.645 137 G HA2 -0.228 3.732 3.960 0.000 0.000 0.239 137 G HA3 -0.228 3.732 3.960 0.000 0.000 0.239 137 G C -0.830 173.974 174.900 -0.161 0.000 1.331 137 G CA 0.242 45.250 45.100 -0.153 0.000 0.890 137 G HN 0.844 nan 8.290 nan 0.000 0.572 138 Q N -0.572 118.973 119.800 -0.425 0.000 2.347 138 Q HA 0.643 4.983 4.340 0.000 0.000 0.271 138 Q C -1.324 174.532 176.000 -0.241 0.000 1.064 138 Q CA -0.453 55.214 55.803 -0.227 0.000 0.800 138 Q CB 1.980 30.637 28.738 -0.136 0.000 1.304 138 Q HN 0.652 nan 8.270 nan 0.000 0.438 139 T N 4.732 119.297 114.554 0.018 0.000 2.815 139 T HA 0.517 4.867 4.350 0.000 0.000 0.289 139 T C -0.749 174.031 174.700 0.133 0.000 1.000 139 T CA -0.642 61.527 62.100 0.115 0.000 0.958 139 T CB 0.678 69.744 68.868 0.330 0.000 0.944 139 T HN 0.639 nan 8.240 nan 0.000 0.442 140 R N 3.321 123.879 120.500 0.096 0.000 2.854 140 R HA 0.740 5.080 4.340 0.000 0.000 0.271 140 R C -1.257 175.108 176.300 0.109 0.000 0.994 140 R CA -0.973 55.197 56.100 0.118 0.000 0.945 140 R CB 1.672 32.027 30.300 0.092 0.000 1.194 140 R HN 0.519 nan 8.270 nan 0.000 0.476 141 I N 2.658 123.297 120.570 0.114 0.000 2.525 141 I HA 0.478 4.648 4.170 0.000 0.000 0.301 141 I C -1.076 175.037 176.117 -0.006 0.000 0.992 141 I CA -1.465 59.845 61.300 0.017 0.000 1.162 141 I CB 1.599 39.598 38.000 -0.002 0.000 1.332 141 I HN 0.661 nan 8.210 nan 0.000 0.458 142 I N 6.459 126.902 120.570 -0.211 0.000 2.512 142 I HA 0.263 4.433 4.170 0.000 0.000 0.287 142 I C -1.360 174.492 176.117 -0.443 0.000 1.069 142 I CA -0.403 60.781 61.300 -0.193 0.000 1.056 142 I CB 1.864 39.805 38.000 -0.097 0.000 1.229 142 I HN 0.329 nan 8.210 nan 0.000 0.429 143 F N 4.332 124.281 119.950 -0.003 0.000 2.334 143 F HA 0.276 4.803 4.527 0.000 0.000 0.367 143 F C 1.325 177.022 175.800 -0.173 0.000 1.115 143 F CA -0.431 57.496 58.000 -0.122 0.000 1.116 143 F CB 0.735 39.640 39.000 -0.159 0.000 1.230 143 F HN 0.469 nan 8.300 nan 0.000 0.484 144 D N 2.360 122.702 120.400 -0.097 0.000 2.264 144 D HA 0.056 4.696 4.640 0.000 0.000 0.208 144 D C 0.952 177.098 176.300 -0.258 0.000 0.966 144 D CA 0.907 54.801 54.000 -0.176 0.000 0.864 144 D CB 0.366 41.024 40.800 -0.236 0.000 0.933 144 D HN 0.663 nan 8.370 nan 0.000 0.499 145 G N -0.707 107.868 108.800 -0.376 0.000 2.617 145 G HA2 0.408 4.368 3.960 0.000 0.000 0.305 145 G HA3 0.408 4.368 3.960 0.000 0.000 0.305 145 G C -1.589 172.848 174.900 -0.772 0.000 1.436 145 G CA -0.526 44.179 45.100 -0.657 0.000 1.036 145 G HN -0.060 nan 8.290 nan 0.000 0.589 146 V N 2.428 122.124 119.914 -0.363 0.000 2.567 146 V HA 0.540 4.660 4.120 0.000 0.000 0.298 146 V C -0.804 175.340 176.094 0.083 0.000 1.047 146 V CA -1.167 60.992 62.300 -0.236 0.000 0.880 146 V CB 1.836 33.259 31.823 -0.666 0.000 1.009 146 V HN 0.782 nan 8.190 nan 0.000 0.429 147 N N 2.558 121.371 118.700 0.188 0.000 2.392 147 N HA 0.378 5.118 4.740 0.000 0.000 0.283 147 N C 0.710 176.180 175.510 -0.068 0.000 1.003 147 N CA 0.171 53.263 53.050 0.070 0.000 0.892 147 N CB 2.406 40.856 38.487 -0.062 0.000 1.193 147 N HN 0.632 nan 8.380 nan 0.000 0.487 148 S N 2.241 117.924 115.700 -0.028 0.000 2.514 148 S HA 0.509 4.979 4.470 0.000 0.000 0.223 148 S C 0.484 175.148 174.600 0.107 0.000 1.046 148 S CA 0.281 58.515 58.200 0.057 0.000 0.914 148 S CB 0.162 63.415 63.200 0.087 0.000 0.807 148 S HN 0.706 nan 8.310 nan 0.000 0.497 149 A N 0.716 123.610 122.820 0.123 0.000 2.566 149 A HA 0.849 5.169 4.320 0.000 0.000 0.292 149 A C -1.169 176.559 177.584 0.240 0.000 1.112 149 A CA -0.968 51.133 52.037 0.106 0.000 0.707 149 A CB 1.078 20.161 19.000 0.138 0.000 1.302 149 A HN 1.218 nan 8.150 nan 0.000 0.409 150 F N -0.985 118.830 119.950 -0.224 0.000 2.746 150 F HA 0.625 5.152 4.527 0.000 0.000 0.311 150 F C -1.464 174.323 175.800 -0.022 0.000 1.135 150 F CA -0.812 57.149 58.000 -0.065 0.000 0.954 150 F CB 0.874 39.810 39.000 -0.105 0.000 1.276 150 F HN 0.654 nan 8.300 nan 0.000 0.440 151 H N 1.944 121.189 119.070 0.291 0.000 2.533 151 H HA 0.821 5.377 4.556 0.000 0.000 0.343 151 H C -1.350 174.059 175.328 0.136 0.000 1.160 151 H CA -0.678 55.488 56.048 0.197 0.000 1.218 151 H CB 2.325 32.273 29.762 0.309 0.000 1.566 151 H HN 0.859 nan 8.280 nan 0.000 0.522 152 L N 1.903 123.032 121.223 -0.157 0.000 2.455 152 L HA 0.409 4.749 4.340 0.000 0.000 0.264 152 L C -1.871 174.715 176.870 -0.473 0.000 0.968 152 L CA -0.507 54.248 54.840 -0.141 0.000 0.827 152 L CB 1.872 43.789 42.059 -0.235 0.000 1.317 152 L HN 0.502 nan 8.230 nan 0.000 0.407 153 W N 4.030 125.302 121.300 -0.046 0.000 2.864 153 W HA 0.649 5.309 4.660 0.000 0.000 0.343 153 W C -1.164 175.287 176.519 -0.113 0.000 1.109 153 W CA -0.827 56.460 57.345 -0.097 0.000 1.192 153 W CB 2.113 31.547 29.460 -0.044 0.000 1.426 153 W HN 0.689 nan 8.180 nan 0.000 0.529 154 C N 4.738 124.120 119.300 0.137 0.000 2.446 154 C HA 0.294 4.754 4.460 0.000 0.000 0.329 154 C C 0.014 175.113 174.990 0.181 0.000 1.166 154 C CA -0.429 58.645 59.018 0.092 0.000 1.341 154 C CB -0.614 27.095 27.740 -0.052 0.000 1.970 154 C HN 0.795 nan 8.230 nan 0.000 0.452 155 N N 3.867 122.638 118.700 0.118 0.000 2.725 155 N HA -0.183 4.557 4.740 0.000 0.000 0.251 155 N C 1.009 176.581 175.510 0.103 0.000 1.031 155 N CA 2.013 55.110 53.050 0.078 0.000 0.720 155 N CB -1.288 37.245 38.487 0.077 0.000 0.930 155 N HN 1.896 nan 8.380 nan 0.000 0.543 156 G N -1.206 107.640 108.800 0.077 0.000 2.234 156 G HA2 -0.386 3.574 3.960 0.000 0.000 0.260 156 G HA3 -0.386 3.574 3.960 0.000 0.000 0.260 156 G C 0.232 175.309 174.900 0.296 0.000 0.987 156 G CA 0.664 45.803 45.100 0.065 0.000 0.625 156 G HN 0.576 nan 8.290 nan 0.000 0.532 157 R N -0.731 120.011 120.500 0.403 0.000 2.297 157 R HA 0.432 4.772 4.340 0.000 0.000 0.308 157 R C -0.053 176.567 176.300 0.534 0.000 1.029 157 R CA -0.874 55.541 56.100 0.525 0.000 0.929 157 R CB 0.609 31.236 30.300 0.545 0.000 1.046 157 R HN 0.260 nan 8.270 nan 0.000 0.461 158 W N 4.104 125.552 121.300 0.247 0.000 2.251 158 W HA 0.070 4.730 4.660 0.000 0.000 0.327 158 W C -0.067 176.287 176.519 -0.276 0.000 1.361 158 W CA 0.055 57.121 57.345 -0.465 0.000 1.234 158 W CB 0.626 29.838 29.460 -0.413 0.000 1.212 158 W HN 0.349 nan 8.180 nan 0.000 0.557 159 V N 4.957 123.944 119.914 -1.545 0.000 2.840 159 V HA 0.585 4.705 4.120 0.000 0.000 0.234 159 V C 0.971 176.015 176.094 -1.750 0.000 1.159 159 V CA 0.850 62.340 62.300 -1.349 0.000 1.194 159 V CB -0.333 30.789 31.823 -1.167 0.000 0.971 159 V HN 0.788 nan 8.190 nan 0.000 0.494 160 G N -1.700 105.903 108.800 -1.995 0.000 2.489 160 G HA2 0.507 4.468 3.960 0.000 0.000 0.305 160 G HA3 0.507 4.468 3.960 0.000 0.000 0.305 160 G C -2.454 172.173 174.900 -0.455 0.000 1.311 160 G CA -0.263 44.119 45.100 -1.197 0.000 0.813 160 G HN 0.034 nan 8.290 nan 0.000 0.480 161 Y N -0.686 119.499 120.300 -0.192 0.000 2.588 161 Y HA 0.725 5.275 4.550 0.000 0.000 0.343 161 Y C -0.077 175.662 175.900 -0.268 0.000 1.065 161 Y CA -0.088 57.809 58.100 -0.339 0.000 1.038 161 Y CB 2.259 40.634 38.460 -0.142 0.000 1.297 161 Y HN 1.260 nan 8.280 nan 0.000 0.467 162 G N 3.088 111.109 108.800 -1.298 0.000 2.720 162 G HA2 0.575 4.535 3.960 0.000 0.000 0.295 162 G HA3 0.575 4.535 3.960 0.000 0.000 0.295 162 G C -2.229 172.215 174.900 -0.760 0.000 1.437 162 G CA -0.938 43.677 45.100 -0.807 0.000 0.886 162 G HN 0.620 nan 8.290 nan 0.000 0.509 163 Q N -0.215 119.387 119.800 -0.329 0.000 2.587 163 Q HA 0.613 4.953 4.340 0.000 0.000 0.293 163 Q C -1.399 174.597 176.000 -0.007 0.000 1.083 163 Q CA -0.892 54.832 55.803 -0.131 0.000 0.792 163 Q CB 2.794 31.501 28.738 -0.053 0.000 1.484 163 Q HN 0.670 nan 8.270 nan 0.000 0.446 164 D N -0.121 120.313 120.400 0.057 0.000 4.370 164 D HA -0.101 4.539 4.640 0.000 0.000 0.238 164 D C -0.328 176.031 176.300 0.099 0.000 1.104 164 D CA 0.667 54.718 54.000 0.084 0.000 1.101 164 D CB -0.683 40.154 40.800 0.062 0.000 0.749 164 D HN 0.568 nan 8.370 nan 0.000 0.351 165 S N 3.457 119.233 115.700 0.127 0.000 2.469 165 S HA -0.136 4.334 4.470 0.000 0.000 0.238 165 S C 1.635 176.353 174.600 0.196 0.000 0.998 165 S CA 0.692 58.995 58.200 0.172 0.000 0.957 165 S CB 0.157 63.458 63.200 0.169 0.000 0.764 165 S HN 0.559 nan 8.310 nan 0.000 0.514 166 R N 0.027 120.613 120.500 0.143 0.000 2.334 166 R HA 0.406 4.746 4.340 0.000 0.000 0.212 166 R C 0.044 176.399 176.300 0.092 0.000 0.897 166 R CA 0.095 56.279 56.100 0.139 0.000 1.056 166 R CB -0.067 30.336 30.300 0.171 0.000 1.046 166 R HN 0.368 nan 8.270 nan 0.000 0.513 167 L N 1.337 122.593 121.223 0.055 0.000 2.303 167 L HA 0.479 4.819 4.340 0.000 0.000 0.266 167 L C -2.295 174.562 176.870 -0.022 0.000 1.011 167 L CA -2.412 52.433 54.840 0.009 0.000 0.818 167 L CB 1.840 43.897 42.059 -0.003 0.000 1.326 167 L HN -0.239 nan 8.230 nan 0.000 0.435 168 P HA 0.118 nan 4.420 nan 0.000 0.269 168 P C -1.119 176.166 177.300 -0.025 0.000 1.209 168 P CA -0.179 62.890 63.100 -0.052 0.000 0.776 168 P CB 0.876 32.508 31.700 -0.113 0.000 0.876 169 S N 1.417 117.160 115.700 0.072 0.000 2.502 169 S HA 0.384 4.854 4.470 0.000 0.000 0.304 169 S C -0.637 173.986 174.600 0.038 0.000 1.097 169 S CA -0.626 57.606 58.200 0.053 0.000 1.045 169 S CB 1.047 64.400 63.200 0.255 0.000 1.019 169 S HN 0.347 nan 8.310 nan 0.000 0.481 170 E N 1.910 121.930 120.200 -0.300 0.000 2.266 170 E HA 0.648 4.998 4.350 0.000 0.000 0.268 170 E C -1.515 174.772 176.600 -0.521 0.000 0.879 170 E CA -0.669 55.616 56.400 -0.192 0.000 0.762 170 E CB 1.691 31.374 29.700 -0.028 0.000 1.199 170 E HN 0.413 nan 8.360 nan 0.000 0.422 171 F N 0.062 120.063 119.950 0.086 0.000 2.588 171 F HA 0.264 4.791 4.527 0.000 0.000 0.310 171 F C -0.208 175.615 175.800 0.039 0.000 1.082 171 F CA -1.303 56.721 58.000 0.041 0.000 0.929 171 F CB 1.196 40.187 39.000 -0.014 0.000 1.254 171 F HN 0.248 nan 8.300 nan 0.000 0.455 172 D N 2.178 122.733 120.400 0.257 0.000 2.336 172 D HA 0.238 4.878 4.640 0.000 0.000 0.249 172 D C 0.521 176.952 176.300 0.218 0.000 1.213 172 D CA 0.349 54.465 54.000 0.194 0.000 0.870 172 D CB 0.964 41.864 40.800 0.166 0.000 1.076 172 D HN 0.594 nan 8.370 nan 0.000 0.483 173 L N 2.531 123.880 121.223 0.210 0.000 2.477 173 L HA -0.052 4.288 4.340 0.000 0.000 0.220 173 L C 2.210 179.319 176.870 0.400 0.000 1.106 173 L CA -0.046 54.942 54.840 0.246 0.000 0.851 173 L CB -0.077 42.102 42.059 0.200 0.000 0.994 173 L HN 0.340 nan 8.230 nan 0.000 0.462 174 S N 1.123 116.995 115.700 0.287 0.000 2.461 174 S HA -0.365 4.105 4.470 0.000 0.000 0.266 174 S C 1.789 176.514 174.600 0.208 0.000 1.138 174 S CA 2.126 60.461 58.200 0.224 0.000 1.146 174 S CB -0.315 62.974 63.200 0.148 0.000 1.042 174 S HN 0.588 nan 8.310 nan 0.000 0.448 175 A N -1.002 121.950 122.820 0.220 0.000 2.278 175 A HA 0.419 4.739 4.320 0.000 0.000 0.212 175 A C 0.960 178.444 177.584 -0.166 0.000 1.213 175 A CA 0.146 52.160 52.037 -0.038 0.000 0.840 175 A CB -0.268 18.567 19.000 -0.275 0.000 0.866 175 A HN 0.484 nan 8.150 nan 0.000 0.489 176 F N -1.057 118.932 119.950 0.065 0.000 2.767 176 F HA 0.374 4.901 4.527 0.000 0.000 0.323 176 F C 0.468 176.300 175.800 0.053 0.000 1.091 176 F CA -0.680 57.355 58.000 0.058 0.000 1.192 176 F CB -0.035 39.002 39.000 0.063 0.000 1.056 176 F HN -0.063 nan 8.300 nan 0.000 0.571 177 L N 1.824 123.213 121.223 0.278 0.000 2.417 177 L HA 0.422 4.762 4.340 0.000 0.000 0.268 177 L C 0.260 177.183 176.870 0.088 0.000 1.158 177 L CA -0.203 54.737 54.840 0.167 0.000 0.819 177 L CB 0.785 42.962 42.059 0.196 0.000 1.112 177 L HN 0.021 nan 8.230 nan 0.000 0.458 178 R N 1.260 121.774 120.500 0.023 0.000 2.854 178 R HA 0.685 5.025 4.340 0.000 0.000 0.271 178 R C -0.686 175.592 176.300 -0.036 0.000 0.996 178 R CA -0.943 55.152 56.100 -0.009 0.000 0.961 178 R CB 1.840 32.120 30.300 -0.035 0.000 1.182 178 R HN 0.700 nan 8.270 nan 0.000 0.479 179 A N 0.904 123.706 122.820 -0.030 0.000 2.407 179 A HA 0.547 4.867 4.320 0.000 0.000 0.248 179 A C 0.942 178.476 177.584 -0.084 0.000 1.082 179 A CA 0.839 52.848 52.037 -0.047 0.000 0.785 179 A CB -0.117 18.866 19.000 -0.030 0.000 1.020 179 A HN 0.897 nan 8.150 nan 0.000 0.489 180 G N 0.809 109.545 108.800 -0.106 0.000 2.536 180 G HA2 -0.225 3.735 3.960 0.000 0.000 0.277 180 G HA3 -0.225 3.735 3.960 0.000 0.000 0.277 180 G C 0.136 174.915 174.900 -0.201 0.000 1.155 180 G CA 0.362 45.384 45.100 -0.129 0.000 0.960 180 G HN 1.004 nan 8.290 nan 0.000 0.544 181 E N 2.408 122.495 120.200 -0.189 0.000 2.265 181 E HA 0.267 4.617 4.350 0.000 0.000 0.272 181 E C -0.064 176.335 176.600 -0.335 0.000 1.067 181 E CA -0.031 56.220 56.400 -0.248 0.000 0.900 181 E CB 0.010 29.611 29.700 -0.164 0.000 1.017 181 E HN 0.387 nan 8.360 nan 0.000 0.431 182 N N 3.084 121.413 118.700 -0.618 0.000 2.328 182 N HA 0.415 5.155 4.740 0.000 0.000 0.299 182 N C -0.759 174.430 175.510 -0.534 0.000 1.179 182 N CA -0.671 51.986 53.050 -0.655 0.000 0.793 182 N CB 2.207 40.152 38.487 -0.903 0.000 1.366 182 N HN 0.287 nan 8.380 nan 0.000 0.493 183 R N 1.613 121.999 120.500 -0.191 0.000 2.538 183 R HA 0.422 4.762 4.340 0.000 0.000 0.292 183 R C -1.317 175.054 176.300 0.118 0.000 1.008 183 R CA -0.477 55.624 56.100 0.000 0.000 0.896 183 R CB 1.065 31.327 30.300 -0.064 0.000 1.187 183 R HN 0.509 nan 8.270 nan 0.000 0.440 184 L N 2.940 124.296 121.223 0.222 0.000 2.325 184 L HA 0.726 5.066 4.340 0.000 0.000 0.279 184 L C -0.074 176.884 176.870 0.148 0.000 1.054 184 L CA -0.916 54.048 54.840 0.206 0.000 0.804 184 L CB 1.813 44.020 42.059 0.247 0.000 1.200 184 L HN 0.665 nan 8.230 nan 0.000 0.436 185 A N 3.226 126.138 122.820 0.153 0.000 2.375 185 A HA 0.687 5.007 4.320 0.000 0.000 0.291 185 A C -0.869 177.026 177.584 0.519 0.000 1.160 185 A CA -0.441 51.627 52.037 0.053 0.000 0.747 185 A CB 1.334 19.757 19.000 -0.961 0.000 1.170 185 A HN 0.390 nan 8.150 nan 0.000 0.458 186 V N 3.432 123.820 119.914 0.789 0.000 2.357 186 V HA 0.486 4.606 4.120 0.000 0.000 0.284 186 V C 0.113 176.708 176.094 0.835 0.000 1.018 186 V CA -0.313 62.431 62.300 0.740 0.000 0.841 186 V CB 1.346 33.427 31.823 0.430 0.000 0.991 186 V HN 0.948 nan 8.190 nan 0.000 0.437 187 M N 6.119 126.211 119.600 0.821 0.000 2.088 187 M HA 0.601 5.081 4.480 0.000 0.000 0.346 187 M C -1.437 175.117 176.300 0.424 0.000 1.111 187 M CA -0.331 55.286 55.300 0.528 0.000 1.017 187 M CB 1.288 34.241 32.600 0.588 0.000 1.568 187 M HN 0.476 nan 8.290 nan 0.000 0.445 188 V N 6.735 126.839 119.914 0.317 0.000 2.483 188 V HA 0.502 4.622 4.120 0.000 0.000 0.295 188 V C -0.207 176.037 176.094 0.251 0.000 1.035 188 V CA -0.775 61.703 62.300 0.298 0.000 0.896 188 V CB 1.569 33.590 31.823 0.330 0.000 0.986 188 V HN 0.816 nan 8.190 nan 0.000 0.447 189 L N 3.088 124.403 121.223 0.153 0.000 2.334 189 L HA 0.664 5.004 4.340 0.000 0.000 0.276 189 L C 1.194 178.027 176.870 -0.062 0.000 1.014 189 L CA -0.782 54.077 54.840 0.031 0.000 0.815 189 L CB 1.566 43.540 42.059 -0.142 0.000 1.268 189 L HN 0.468 nan 8.230 nan 0.000 0.428 190 R N 1.608 121.969 120.500 -0.231 0.000 2.075 190 R HA -0.006 4.334 4.340 0.000 0.000 0.230 190 R C -0.279 175.637 176.300 -0.641 0.000 1.140 190 R CA 1.752 57.419 56.100 -0.721 0.000 0.928 190 R CB 0.064 29.590 30.300 -1.290 0.000 0.834 190 R HN 0.628 nan 8.270 nan 0.000 0.429 191 W N 0.295 121.650 121.300 0.091 0.000 2.449 191 W HA 0.320 4.980 4.660 0.000 0.000 0.331 191 W C 0.061 176.689 176.519 0.182 0.000 1.119 191 W CA -0.787 56.621 57.345 0.106 0.000 1.240 191 W CB 1.312 30.836 29.460 0.108 0.000 1.251 191 W HN 0.083 nan 8.180 nan 0.000 0.576 192 S N -1.009 114.976 115.700 0.474 0.000 2.643 192 S HA 0.204 4.674 4.470 0.000 0.000 0.270 192 S C 0.063 174.915 174.600 0.420 0.000 1.166 192 S CA -0.511 57.975 58.200 0.477 0.000 0.815 192 S CB 1.232 64.671 63.200 0.398 0.000 1.139 192 S HN 0.614 nan 8.310 nan 0.000 0.472 193 D N 0.564 121.213 120.400 0.414 0.000 2.218 193 D HA 0.063 4.703 4.640 0.000 0.000 0.204 193 D C 1.839 178.434 176.300 0.490 0.000 0.976 193 D CA 1.195 55.472 54.000 0.461 0.000 0.853 193 D CB -0.798 40.161 40.800 0.265 0.000 0.939 193 D HN 0.712 nan 8.370 nan 0.000 0.481 194 G N 0.099 109.110 108.800 0.352 0.000 2.462 194 G HA2 -0.302 3.658 3.960 0.000 0.000 0.220 194 G HA3 -0.302 3.658 3.960 0.000 0.000 0.220 194 G C 1.742 176.817 174.900 0.293 0.000 1.121 194 G CA 0.874 46.153 45.100 0.300 0.000 0.758 194 G HN 0.316 nan 8.290 nan 0.000 0.559 195 S N -0.111 115.752 115.700 0.273 0.000 2.383 195 S HA -0.118 4.352 4.470 0.000 0.000 0.229 195 S C 1.954 176.653 174.600 0.166 0.000 1.030 195 S CA 0.933 59.258 58.200 0.208 0.000 1.002 195 S CB -0.423 62.898 63.200 0.203 0.000 0.829 195 S HN 0.562 nan 8.310 nan 0.000 0.467 196 Y N 1.131 121.526 120.300 0.159 0.000 2.483 196 Y HA 0.027 4.577 4.550 0.000 0.000 0.291 196 Y C 1.536 177.533 175.900 0.162 0.000 1.143 196 Y CA 0.619 58.739 58.100 0.032 0.000 1.289 196 Y CB -0.217 38.156 38.460 -0.145 0.000 0.983 196 Y HN 0.196 nan 8.280 nan 0.000 0.556 197 L N -0.013 121.400 121.223 0.318 0.000 2.700 197 L HA 0.121 4.461 4.340 0.000 0.000 0.234 197 L C -0.002 177.010 176.870 0.237 0.000 1.156 197 L CA 0.370 55.355 54.840 0.241 0.000 0.946 197 L CB -0.005 42.191 42.059 0.228 0.000 1.216 197 L HN 0.203 nan 8.230 nan 0.000 0.493 198 E N -0.474 119.886 120.200 0.266 0.000 3.646 198 E HA 0.045 4.395 4.350 0.000 0.000 0.211 198 E C -0.443 176.279 176.600 0.204 0.000 1.034 198 E CA -0.095 56.446 56.400 0.235 0.000 1.341 198 E CB 0.469 30.299 29.700 0.217 0.000 1.202 198 E HN 0.019 nan 8.360 nan 0.000 0.447 199 D N 1.384 121.872 120.400 0.145 0.000 2.519 199 D HA 0.005 4.645 4.640 0.000 0.000 0.238 199 D C -0.222 176.082 176.300 0.007 0.000 1.192 199 D CA -0.009 53.964 54.000 -0.044 0.000 0.835 199 D CB 0.065 40.603 40.800 -0.437 0.000 0.975 199 D HN 0.082 nan 8.370 nan 0.000 0.490 200 Q N 0.510 120.399 119.800 0.149 0.000 2.361 200 Q HA 0.070 4.410 4.340 0.000 0.000 0.276 200 Q C -0.037 176.085 176.000 0.202 0.000 1.022 200 Q CA 0.168 56.123 55.803 0.253 0.000 0.898 200 Q CB 0.557 29.579 28.738 0.473 0.000 1.246 200 Q HN 0.053 nan 8.270 nan 0.000 0.410 201 D N 3.394 123.944 120.400 0.251 0.000 2.489 201 D HA 0.137 4.777 4.640 0.000 0.000 0.237 201 D C -0.788 175.695 176.300 0.305 0.000 1.212 201 D CA 0.222 54.356 54.000 0.223 0.000 1.058 201 D CB -0.415 40.546 40.800 0.268 0.000 1.098 201 D HN 0.482 nan 8.370 nan 0.000 0.509 202 M N 0.081 119.803 119.600 0.203 0.000 3.008 202 M HA 0.453 4.933 4.480 0.000 0.000 0.271 202 M C -1.205 175.202 176.300 0.177 0.000 1.265 202 M CA -1.212 54.158 55.300 0.118 0.000 0.817 202 M CB 1.144 33.718 32.600 -0.043 0.000 1.638 202 M HN -0.103 nan 8.290 nan 0.000 0.479 203 W N 1.971 123.358 121.300 0.145 0.000 2.216 203 W HA 0.392 5.052 4.660 0.000 0.000 0.326 203 W C 0.126 176.655 176.519 0.016 0.000 1.319 203 W CA -0.277 57.134 57.345 0.111 0.000 1.213 203 W CB 0.550 30.019 29.460 0.016 0.000 1.171 203 W HN 0.255 nan 8.180 nan 0.000 0.557 204 R N 5.001 125.685 120.500 0.307 0.000 2.204 204 R HA 0.401 4.741 4.340 0.000 0.000 0.341 204 R C -0.167 176.158 176.300 0.042 0.000 1.035 204 R CA -0.193 56.008 56.100 0.167 0.000 0.887 204 R CB 0.246 30.689 30.300 0.238 0.000 1.114 204 R HN 0.578 nan 8.270 nan 0.000 0.473 205 M N 0.369 119.892 119.600 -0.128 0.000 2.655 205 M HA 0.506 4.986 4.480 0.000 0.000 0.271 205 M C -0.136 175.853 176.300 -0.520 0.000 1.013 205 M CA -0.728 54.377 55.300 -0.326 0.000 0.994 205 M CB 1.993 34.388 32.600 -0.343 0.000 1.585 205 M HN 0.658 nan 8.290 nan 0.000 0.569 206 S N -1.352 113.921 115.700 -0.711 0.000 2.611 206 S HA 0.848 5.318 4.470 0.000 0.000 0.270 206 S C -0.629 173.546 174.600 -0.707 0.000 1.131 206 S CA -0.328 57.368 58.200 -0.840 0.000 0.826 206 S CB 1.445 63.956 63.200 -1.148 0.000 1.095 206 S HN 1.427 nan 8.310 nan 0.000 0.461 207 G N 0.243 108.837 108.800 -0.343 0.000 2.318 207 G HA2 0.157 4.117 3.960 0.000 0.000 0.367 207 G HA3 0.157 4.117 3.960 0.000 0.000 0.367 207 G C -1.509 173.384 174.900 -0.012 0.000 1.260 207 G CA -0.543 44.582 45.100 0.041 0.000 1.055 207 G HN 1.234 nan 8.290 nan 0.000 0.484 208 I N 2.162 122.614 120.570 -0.197 0.000 2.316 208 I HA 0.307 4.477 4.170 0.000 0.000 0.286 208 I C 1.012 177.009 176.117 -0.201 0.000 1.107 208 I CA -0.309 60.769 61.300 -0.370 0.000 1.219 208 I CB -0.032 37.544 38.000 -0.706 0.000 1.455 208 I HN 0.514 nan 8.210 nan 0.000 0.498 209 F N 3.979 123.798 119.950 -0.218 0.000 2.727 209 F HA 0.427 4.954 4.527 0.000 0.000 0.302 209 F C 0.697 176.433 175.800 -0.107 0.000 1.097 209 F CA -0.526 57.378 58.000 -0.160 0.000 1.330 209 F CB 0.070 38.974 39.000 -0.161 0.000 1.084 209 F HN 0.120 nan 8.300 nan 0.000 0.578 210 R N 0.682 120.782 120.500 -0.666 0.000 2.912 210 R HA 0.260 4.600 4.340 0.000 0.000 0.262 210 R C -1.002 175.135 176.300 -0.271 0.000 1.057 210 R CA -1.158 54.701 56.100 -0.401 0.000 0.981 210 R CB 0.561 30.610 30.300 -0.418 0.000 1.201 210 R HN -0.032 nan 8.270 nan 0.000 0.484 211 D N 0.780 121.083 120.400 -0.162 0.000 2.474 211 D HA 0.091 4.731 4.640 0.000 0.000 0.232 211 D C -0.274 175.922 176.300 -0.173 0.000 1.177 211 D CA 0.435 54.358 54.000 -0.129 0.000 0.876 211 D CB 0.403 41.163 40.800 -0.066 0.000 1.208 211 D HN 0.064 nan 8.370 nan 0.000 0.464 212 V N 0.927 120.747 119.914 -0.157 0.000 2.540 212 V HA 0.653 4.773 4.120 0.000 0.000 0.302 212 V C -0.142 175.858 176.094 -0.156 0.000 1.035 212 V CA -0.592 61.569 62.300 -0.231 0.000 0.873 212 V CB 1.610 33.309 31.823 -0.207 0.000 0.992 212 V HN 0.752 nan 8.190 nan 0.000 0.428 213 S N 4.486 120.055 115.700 -0.219 0.000 2.625 213 S HA 0.827 5.297 4.470 0.000 0.000 0.271 213 S C -1.247 173.305 174.600 -0.081 0.000 1.161 213 S CA -0.953 57.184 58.200 -0.106 0.000 0.820 213 S CB 1.922 65.089 63.200 -0.055 0.000 1.137 213 S HN 0.469 nan 8.310 nan 0.000 0.470 214 L N 1.299 122.540 121.223 0.030 0.000 2.386 214 L HA 0.698 5.038 4.340 0.000 0.000 0.271 214 L C -1.590 175.390 176.870 0.183 0.000 0.993 214 L CA -0.791 54.132 54.840 0.138 0.000 0.819 214 L CB 1.869 44.098 42.059 0.283 0.000 1.294 214 L HN 0.673 nan 8.230 nan 0.000 0.414 215 L N 2.390 123.681 121.223 0.112 0.000 2.409 215 L HA 0.488 4.828 4.340 0.000 0.000 0.272 215 L C -1.060 175.715 176.870 -0.159 0.000 0.980 215 L CA -0.286 54.552 54.840 -0.003 0.000 0.826 215 L CB 1.663 43.725 42.059 0.006 0.000 1.268 215 L HN 0.486 nan 8.230 nan 0.000 0.407 216 H N 4.032 122.773 119.070 -0.548 0.000 2.556 216 H HA 0.582 5.138 4.556 0.000 0.000 0.310 216 H C -1.158 173.883 175.328 -0.478 0.000 1.057 216 H CA -0.142 55.416 56.048 -0.816 0.000 1.264 216 H CB 0.963 29.636 29.762 -1.815 0.000 1.404 216 H HN 0.617 nan 8.280 nan 0.000 0.462 217 K N 5.426 125.332 120.400 -0.823 0.000 2.435 217 K HA 0.418 4.738 4.320 0.000 0.000 0.251 217 K C -2.741 173.505 176.600 -0.589 0.000 0.954 217 K CA -2.460 53.491 56.287 -0.560 0.000 0.820 217 K CB 1.809 34.090 32.500 -0.365 0.000 1.292 217 K HN 0.415 nan 8.250 nan 0.000 0.436 218 P HA -0.011 nan 4.420 nan 0.000 0.271 218 P C 0.148 177.317 177.300 -0.219 0.000 1.233 218 P CA -0.100 62.850 63.100 -0.250 0.000 0.789 218 P CB 0.444 32.050 31.700 -0.156 0.000 0.951 219 T N -2.988 111.475 114.554 -0.152 0.000 2.942 219 T HA -0.019 4.331 4.350 0.000 0.000 0.265 219 T C 0.686 175.311 174.700 -0.125 0.000 1.062 219 T CA 1.181 63.208 62.100 -0.123 0.000 1.139 219 T CB -0.695 68.125 68.868 -0.079 0.000 0.883 219 T HN 0.308 nan 8.240 nan 0.000 0.468 220 T N 3.403 117.883 114.554 -0.124 0.000 2.853 220 T HA 0.442 4.792 4.350 0.000 0.000 0.317 220 T C -0.339 174.269 174.700 -0.154 0.000 1.059 220 T CA -0.786 61.230 62.100 -0.140 0.000 0.954 220 T CB 0.713 69.505 68.868 -0.127 0.000 0.994 220 T HN 0.557 nan 8.240 nan 0.000 0.479 221 Q N 2.779 122.471 119.800 -0.179 0.000 2.683 221 Q HA 0.583 4.923 4.340 0.000 0.000 0.302 221 Q C -1.030 174.850 176.000 -0.200 0.000 1.042 221 Q CA -1.173 54.511 55.803 -0.199 0.000 0.773 221 Q CB 1.401 29.987 28.738 -0.253 0.000 1.508 221 Q HN 0.427 nan 8.270 nan 0.000 0.459 222 I N 2.758 123.184 120.570 -0.239 0.000 2.436 222 I HA -0.021 4.149 4.170 0.000 0.000 0.289 222 I C 0.984 176.902 176.117 -0.332 0.000 1.083 222 I CA 0.112 61.279 61.300 -0.221 0.000 1.372 222 I CB 1.025 38.858 38.000 -0.277 0.000 1.408 222 I HN 0.832 nan 8.210 nan 0.000 0.516 223 S N 3.127 118.747 115.700 -0.134 0.000 2.503 223 S HA 0.128 4.598 4.470 0.000 0.000 0.217 223 S C 0.265 174.998 174.600 0.223 0.000 0.999 223 S CA -0.105 58.061 58.200 -0.058 0.000 0.914 223 S CB 0.239 63.425 63.200 -0.023 0.000 0.782 223 S HN 0.735 nan 8.310 nan 0.000 0.520 224 D N -0.609 119.965 120.400 0.292 0.000 2.766 224 D HA 0.439 5.079 4.640 0.000 0.000 0.244 224 D C -1.768 174.756 176.300 0.372 0.000 1.198 224 D CA -0.698 53.558 54.000 0.427 0.000 0.739 224 D CB 1.126 42.058 40.800 0.221 0.000 1.379 224 D HN 0.248 nan 8.370 nan 0.000 0.437 225 F N -0.432 119.562 119.950 0.074 0.000 2.678 225 F HA 0.705 5.232 4.527 0.000 0.000 0.308 225 F C -1.538 174.288 175.800 0.044 0.000 1.118 225 F CA -0.786 57.163 58.000 -0.086 0.000 0.959 225 F CB 1.410 40.419 39.000 0.016 0.000 1.305 225 F HN 0.298 nan 8.300 nan 0.000 0.443 226 H N 1.005 120.077 119.070 0.003 0.000 2.768 226 H HA 0.788 5.344 4.556 0.000 0.000 0.371 226 H C -1.366 173.950 175.328 -0.020 0.000 1.151 226 H CA -1.520 54.456 56.048 -0.119 0.000 1.165 226 H CB 2.687 32.400 29.762 -0.082 0.000 1.722 226 H HN 0.616 nan 8.280 nan 0.000 0.543 227 V N 1.168 121.128 119.914 0.077 0.000 2.815 227 V HA 0.827 4.947 4.120 0.000 0.000 0.314 227 V C -0.494 175.579 176.094 -0.035 0.000 1.064 227 V CA -0.584 61.728 62.300 0.020 0.000 0.952 227 V CB 1.680 33.494 31.823 -0.015 0.000 1.020 227 V HN 0.973 nan 8.190 nan 0.000 0.439 228 A N 1.971 124.750 122.820 -0.069 0.000 2.547 228 A HA 0.831 5.151 4.320 0.000 0.000 0.297 228 A C -0.482 177.012 177.584 -0.151 0.000 1.056 228 A CA -0.391 51.592 52.037 -0.089 0.000 0.688 228 A CB 2.036 21.008 19.000 -0.047 0.000 1.282 228 A HN 0.934 nan 8.150 nan 0.000 0.400 229 T N 0.034 114.491 114.554 -0.163 0.000 2.807 229 T HA 0.795 5.145 4.350 0.000 0.000 0.279 229 T C -0.378 174.155 174.700 -0.279 0.000 0.993 229 T CA -0.694 61.240 62.100 -0.275 0.000 0.970 229 T CB 1.264 69.928 68.868 -0.340 0.000 0.950 229 T HN 0.703 nan 8.240 nan 0.000 0.441 230 R N 1.645 121.878 120.500 -0.445 0.000 2.740 230 R HA 0.769 5.109 4.340 0.000 0.000 0.282 230 R C -1.249 174.676 176.300 -0.625 0.000 0.969 230 R CA -0.747 55.162 56.100 -0.317 0.000 0.918 230 R CB 1.606 31.826 30.300 -0.135 0.000 1.175 230 R HN 0.555 nan 8.270 nan 0.000 0.464 231 F N 0.063 120.004 119.950 -0.014 0.000 2.640 231 F HA 0.360 4.887 4.527 0.000 0.000 0.324 231 F C 0.361 176.041 175.800 -0.200 0.000 1.077 231 F CA -1.271 56.669 58.000 -0.101 0.000 0.965 231 F CB 0.851 39.712 39.000 -0.233 0.000 1.351 231 F HN 0.506 nan 8.300 nan 0.000 0.487 232 N N -0.209 118.489 118.700 -0.003 0.000 2.327 232 N HA 0.085 4.825 4.740 0.000 0.000 0.257 232 N C 0.488 175.850 175.510 -0.246 0.000 1.281 232 N CA -0.215 52.783 53.050 -0.086 0.000 0.942 232 N CB 0.079 38.537 38.487 -0.048 0.000 1.199 232 N HN 0.647 nan 8.380 nan 0.000 0.532 233 D N -1.555 118.743 120.400 -0.170 0.000 2.265 233 D HA -0.226 4.414 4.640 0.000 0.000 0.208 233 D C 0.111 176.279 176.300 -0.221 0.000 0.977 233 D CA 1.349 55.239 54.000 -0.183 0.000 0.871 233 D CB -0.421 40.339 40.800 -0.066 0.000 0.925 233 D HN 0.752 nan 8.370 nan 0.000 0.485 234 D N -1.493 118.811 120.400 -0.161 0.000 2.513 234 D HA -0.002 4.638 4.640 0.000 0.000 0.222 234 D C 0.243 176.663 176.300 0.200 0.000 1.210 234 D CA -0.858 53.171 54.000 0.049 0.000 0.825 234 D CB -1.070 39.782 40.800 0.088 0.000 1.037 234 D HN 0.162 nan 8.370 nan 0.000 0.506 235 F N 0.712 120.720 119.950 0.097 0.000 3.006 235 F HA -0.301 4.226 4.527 0.000 0.000 0.289 235 F C 1.787 177.669 175.800 0.136 0.000 0.772 235 F CA 0.801 58.881 58.000 0.133 0.000 1.162 235 F CB -2.477 36.503 39.000 -0.033 0.000 1.382 235 F HN 0.210 nan 8.300 nan 0.000 0.406 236 S N -0.414 115.396 115.700 0.183 0.000 2.522 236 S HA 0.121 4.591 4.470 0.000 0.000 0.227 236 S C 0.701 175.356 174.600 0.092 0.000 0.986 236 S CA 0.755 59.030 58.200 0.124 0.000 0.929 236 S CB 0.357 63.603 63.200 0.077 0.000 0.769 236 S HN 0.587 nan 8.310 nan 0.000 0.529 237 R N -0.402 120.164 120.500 0.110 0.000 2.594 237 R HA 0.645 4.985 4.340 0.000 0.000 0.265 237 R C -1.708 174.615 176.300 0.039 0.000 1.070 237 R CA -0.041 56.086 56.100 0.046 0.000 0.909 237 R CB 1.370 31.674 30.300 0.007 0.000 1.243 237 R HN 0.232 nan 8.270 nan 0.000 0.455 238 A N 2.489 125.270 122.820 -0.065 0.000 2.479 238 A HA 0.787 5.107 4.320 0.000 0.000 0.296 238 A C -1.451 176.039 177.584 -0.156 0.000 1.121 238 A CA -0.677 51.236 52.037 -0.206 0.000 0.743 238 A CB 2.227 21.074 19.000 -0.255 0.000 1.323 238 A HN 0.361 nan 8.150 nan 0.000 0.415 239 V N 1.386 121.181 119.914 -0.200 0.000 2.483 239 V HA 0.427 4.547 4.120 0.000 0.000 0.297 239 V C -1.033 175.004 176.094 -0.096 0.000 1.027 239 V CA -0.469 61.761 62.300 -0.117 0.000 0.855 239 V CB 1.357 33.113 31.823 -0.111 0.000 0.995 239 V HN 0.807 nan 8.190 nan 0.000 0.424 240 L N 5.227 126.430 121.223 -0.034 0.000 2.275 240 L HA 0.630 4.970 4.340 0.000 0.000 0.288 240 L C -0.122 176.710 176.870 -0.063 0.000 1.046 240 L CA 0.179 54.983 54.840 -0.060 0.000 0.805 240 L CB 1.198 43.243 42.059 -0.022 0.000 1.193 240 L HN 0.857 nan 8.230 nan 0.000 0.426 241 E N 4.824 124.982 120.200 -0.071 0.000 2.218 241 E HA 0.753 5.103 4.350 0.000 0.000 0.263 241 E C -1.793 174.795 176.600 -0.021 0.000 0.879 241 E CA -0.832 55.541 56.400 -0.046 0.000 0.762 241 E CB 1.568 31.240 29.700 -0.047 0.000 1.166 241 E HN 0.844 nan 8.360 nan 0.000 0.415 242 A N 4.383 127.197 122.820 -0.010 0.000 2.331 242 A HA 0.444 4.764 4.320 0.000 0.000 0.320 242 A C -0.848 176.734 177.584 -0.003 0.000 1.138 242 A CA -0.708 51.344 52.037 0.026 0.000 0.790 242 A CB 1.459 20.486 19.000 0.044 0.000 1.206 242 A HN 0.735 nan 8.150 nan 0.000 0.470 243 E N 2.328 122.528 120.200 0.000 0.000 2.176 243 E HA 0.575 4.925 4.350 0.000 0.000 0.267 243 E C -1.650 174.889 176.600 -0.102 0.000 0.893 243 E CA -0.409 55.944 56.400 -0.078 0.000 0.761 243 E CB 1.600 31.235 29.700 -0.108 0.000 1.133 243 E HN 0.410 nan 8.360 nan 0.000 0.409 244 V N 4.270 124.134 119.914 -0.082 0.000 2.604 244 V HA 0.362 4.482 4.120 0.000 0.000 0.305 244 V C -0.499 175.623 176.094 0.046 0.000 1.043 244 V CA -0.808 61.480 62.300 -0.019 0.000 0.888 244 V CB 1.771 33.556 31.823 -0.063 0.000 0.995 244 V HN 0.694 nan 8.190 nan 0.000 0.429 245 Q N 4.133 123.987 119.800 0.090 0.000 2.377 245 Q HA 0.824 5.164 4.340 0.000 0.000 0.271 245 Q C -0.848 175.230 176.000 0.131 0.000 1.077 245 Q CA -0.856 55.028 55.803 0.135 0.000 0.820 245 Q CB 2.845 31.594 28.738 0.018 0.000 1.347 245 Q HN 0.847 nan 8.270 nan 0.000 0.444 246 M N -0.877 118.756 119.600 0.056 0.000 2.664 246 M HA 0.762 5.242 4.480 0.000 0.000 0.314 246 M C -1.302 174.892 176.300 -0.177 0.000 1.200 246 M CA -0.429 54.790 55.300 -0.136 0.000 0.916 246 M CB 2.039 34.362 32.600 -0.461 0.000 1.717 246 M HN 0.560 nan 8.290 nan 0.000 0.470 247 C N 1.428 120.621 119.300 -0.177 0.000 2.614 247 C HA 1.023 5.483 4.460 0.000 0.000 0.320 247 C C 0.588 175.474 174.990 -0.174 0.000 1.200 247 C CA 0.893 59.822 59.018 -0.149 0.000 1.700 247 C CB 1.032 28.703 27.740 -0.114 0.000 2.275 247 C HN 1.354 nan 8.230 nan 0.000 0.492 248 G N 3.389 112.102 108.800 -0.145 0.000 2.396 248 G HA2 0.122 4.082 3.960 0.000 0.000 0.254 248 G HA3 0.122 4.082 3.960 0.000 0.000 0.254 248 G C -1.506 173.307 174.900 -0.144 0.000 1.248 248 G CA -0.292 44.725 45.100 -0.138 0.000 1.033 248 G HN 0.853 nan 8.290 nan 0.000 0.502 249 E N -0.338 119.784 120.200 -0.130 0.000 2.166 249 E HA 0.712 5.062 4.350 0.000 0.000 0.275 249 E C 0.020 176.514 176.600 -0.176 0.000 0.941 249 E CA -0.957 55.365 56.400 -0.130 0.000 0.784 249 E CB 2.003 31.655 29.700 -0.079 0.000 1.115 249 E HN 0.631 nan 8.360 nan 0.000 0.399 250 L N 3.491 124.598 121.223 -0.194 0.000 2.455 250 L HA 0.256 4.596 4.340 0.000 0.000 0.272 250 L C -0.069 176.677 176.870 -0.206 0.000 1.174 250 L CA 0.150 54.845 54.840 -0.241 0.000 0.869 250 L CB 0.227 42.164 42.059 -0.203 0.000 1.130 250 L HN 0.476 nan 8.230 nan 0.000 0.474 251 R N 2.685 123.002 120.500 -0.306 0.000 2.548 251 R HA 0.115 4.455 4.340 0.000 0.000 0.280 251 R C 0.063 176.137 176.300 -0.376 0.000 1.061 251 R CA -0.617 55.280 56.100 -0.339 0.000 0.915 251 R CB 1.588 31.479 30.300 -0.682 0.000 1.210 251 R HN 0.713 nan 8.270 nan 0.000 0.442 252 D N 1.782 122.105 120.400 -0.129 0.000 2.393 252 D HA -0.205 4.435 4.640 0.000 0.000 0.220 252 D C 0.885 177.191 176.300 0.010 0.000 0.974 252 D CA 1.461 55.446 54.000 -0.026 0.000 0.931 252 D CB -0.052 40.785 40.800 0.061 0.000 0.889 252 D HN 0.715 nan 8.370 nan 0.000 0.512 253 Y N -0.694 119.611 120.300 0.007 0.000 2.457 253 Y HA 0.393 4.943 4.550 0.000 0.000 0.263 253 Y C 0.957 176.857 175.900 -0.001 0.000 1.164 253 Y CA -0.937 57.167 58.100 0.008 0.000 1.274 253 Y CB -0.320 38.146 38.460 0.010 0.000 1.097 253 Y HN -0.222 nan 8.280 nan 0.000 0.523 254 L N 2.945 123.984 121.223 -0.308 0.000 2.397 254 L HA 0.363 4.703 4.340 0.000 0.000 0.271 254 L C 0.204 177.017 176.870 -0.095 0.000 1.148 254 L CA -0.100 54.623 54.840 -0.195 0.000 0.825 254 L CB 0.609 42.561 42.059 -0.178 0.000 1.117 254 L HN 0.252 nan 8.230 nan 0.000 0.456 255 R N 2.076 122.427 120.500 -0.248 0.000 2.799 255 R HA 0.750 5.090 4.340 0.000 0.000 0.270 255 R C -1.543 174.434 176.300 -0.538 0.000 1.010 255 R CA -0.833 55.025 56.100 -0.403 0.000 0.916 255 R CB 2.389 32.417 30.300 -0.453 0.000 1.228 255 R HN 0.283 nan 8.270 nan 0.000 0.469 256 V N 0.788 120.480 119.914 -0.370 0.000 2.686 256 V HA 0.490 4.610 4.120 0.000 0.000 0.306 256 V C -0.617 175.455 176.094 -0.036 0.000 1.065 256 V CA -0.609 61.551 62.300 -0.233 0.000 0.894 256 V CB 2.422 34.033 31.823 -0.353 0.000 1.004 256 V HN 0.788 nan 8.190 nan 0.000 0.424 257 T N 3.577 118.186 114.554 0.092 0.000 2.861 257 T HA 0.721 5.071 4.350 0.000 0.000 0.287 257 T C -0.855 173.851 174.700 0.011 0.000 1.003 257 T CA -0.535 61.615 62.100 0.084 0.000 0.977 257 T CB 1.922 70.875 68.868 0.142 0.000 0.996 257 T HN 0.374 nan 8.240 nan 0.000 0.448 258 V N 3.063 122.968 119.914 -0.015 0.000 2.577 258 V HA 0.694 4.814 4.120 0.000 0.000 0.303 258 V C -0.440 175.638 176.094 -0.027 0.000 1.042 258 V CA -0.870 61.416 62.300 -0.023 0.000 0.872 258 V CB 1.871 33.670 31.823 -0.040 0.000 0.998 258 V HN 1.077 nan 8.190 nan 0.000 0.423 259 S N 5.037 120.737 115.700 0.001 0.000 2.526 259 S HA 0.863 5.333 4.470 0.000 0.000 0.293 259 S C -1.140 173.434 174.600 -0.044 0.000 1.092 259 S CA -0.771 57.387 58.200 -0.071 0.000 0.980 259 S CB 2.386 65.579 63.200 -0.011 0.000 1.048 259 S HN 0.473 nan 8.310 nan 0.000 0.483 260 L N 2.101 123.189 121.223 -0.225 0.000 2.322 260 L HA 0.731 5.071 4.340 0.000 0.000 0.281 260 L C -1.840 174.863 176.870 -0.278 0.000 1.014 260 L CA -0.459 54.328 54.840 -0.089 0.000 0.815 260 L CB 0.799 42.831 42.059 -0.044 0.000 1.247 260 L HN 0.891 nan 8.230 nan 0.000 0.421 261 W N 3.271 124.666 121.300 0.158 0.000 2.736 261 W HA 0.574 5.234 4.660 0.000 0.000 0.335 261 W C -0.489 176.159 176.519 0.214 0.000 1.059 261 W CA -0.580 56.853 57.345 0.147 0.000 1.226 261 W CB 1.619 31.121 29.460 0.070 0.000 1.416 261 W HN 0.434 nan 8.180 nan 0.000 0.505 262 Q N 2.667 122.717 119.800 0.416 0.000 2.644 262 Q HA 0.494 4.834 4.340 0.000 0.000 0.245 262 Q C 0.683 176.773 176.000 0.151 0.000 1.064 262 Q CA 0.598 56.499 55.803 0.164 0.000 0.860 262 Q CB 0.344 29.133 28.738 0.084 0.000 1.145 262 Q HN 0.733 nan 8.270 nan 0.000 0.515 263 G N 2.325 111.206 108.800 0.135 0.000 2.595 263 G HA2 -0.366 3.594 3.960 0.000 0.000 0.297 263 G HA3 -0.366 3.594 3.960 0.000 0.000 0.297 263 G C 0.667 175.638 174.900 0.119 0.000 1.181 263 G CA 0.323 45.469 45.100 0.077 0.000 0.963 263 G HN 0.516 nan 8.290 nan 0.000 0.541 264 E N 1.559 121.832 120.200 0.122 0.000 2.385 264 E HA 0.195 4.545 4.350 0.000 0.000 0.194 264 E C 1.263 178.084 176.600 0.367 0.000 1.013 264 E CA 0.925 57.409 56.400 0.140 0.000 0.866 264 E CB -0.125 29.622 29.700 0.080 0.000 0.832 264 E HN 0.473 nan 8.360 nan 0.000 0.500 265 T N 1.362 116.130 114.554 0.357 0.000 2.806 265 T HA 0.176 4.527 4.350 0.000 0.000 0.290 265 T C 0.089 174.926 174.700 0.229 0.000 0.966 265 T CA -0.348 61.933 62.100 0.301 0.000 1.060 265 T CB 1.586 70.533 68.868 0.132 0.000 0.927 265 T HN -0.069 nan 8.240 nan 0.000 0.485 266 Q N 2.864 122.515 119.800 -0.249 0.000 2.296 266 Q HA 0.287 4.627 4.340 0.000 0.000 0.257 266 Q C 0.317 176.042 176.000 -0.459 0.000 0.942 266 Q CA -0.396 54.780 55.803 -1.044 0.000 0.939 266 Q CB 0.927 28.754 28.738 -1.519 0.000 1.198 266 Q HN 0.583 nan 8.270 nan 0.000 0.429 267 V N 2.309 121.995 119.914 -0.378 0.000 2.685 267 V HA 0.333 4.453 4.120 0.000 0.000 0.244 267 V C 0.418 176.402 176.094 -0.184 0.000 1.054 267 V CA 0.964 63.165 62.300 -0.164 0.000 1.076 267 V CB 0.098 31.916 31.823 -0.008 0.000 0.725 267 V HN 0.761 nan 8.190 nan 0.000 0.467 268 A N -1.203 121.464 122.820 -0.256 0.000 2.599 268 A HA 0.750 5.070 4.320 0.000 0.000 0.294 268 A C -0.819 176.635 177.584 -0.216 0.000 1.055 268 A CA -0.049 51.872 52.037 -0.194 0.000 0.683 268 A CB 1.739 20.662 19.000 -0.129 0.000 1.278 268 A HN 0.029 nan 8.150 nan 0.000 0.412 269 S N -1.075 114.530 115.700 -0.157 0.000 2.579 269 S HA 0.895 5.365 4.470 0.000 0.000 0.272 269 S C -0.491 174.059 174.600 -0.082 0.000 1.141 269 S CA 0.146 58.271 58.200 -0.125 0.000 0.843 269 S CB 1.964 65.086 63.200 -0.130 0.000 1.122 269 S HN 2.313 nan 8.310 nan 0.000 0.468 270 G N 1.214 109.978 108.800 -0.061 0.000 2.759 270 G HA2 0.596 4.556 3.960 0.000 0.000 0.297 270 G HA3 0.596 4.556 3.960 0.000 0.000 0.297 270 G C -1.519 173.362 174.900 -0.033 0.000 1.434 270 G CA -0.381 44.690 45.100 -0.049 0.000 0.980 270 G HN 0.685 nan 8.290 nan 0.000 0.531 271 T N -0.204 114.335 114.554 -0.025 0.000 2.900 271 T HA 0.910 5.260 4.350 0.000 0.000 0.295 271 T C -0.171 174.505 174.700 -0.041 0.000 1.044 271 T CA 0.089 62.185 62.100 -0.007 0.000 0.995 271 T CB 1.869 70.767 68.868 0.050 0.000 1.072 271 T HN 1.781 nan 8.240 nan 0.000 0.473 272 A N 2.917 125.688 122.820 -0.083 0.000 2.566 272 A HA 0.914 5.234 4.320 0.000 0.000 0.290 272 A C -3.246 174.228 177.584 -0.184 0.000 1.071 272 A CA -1.417 50.551 52.037 -0.116 0.000 0.658 272 A CB 1.150 20.071 19.000 -0.132 0.000 1.285 272 A HN 0.537 nan 8.150 nan 0.000 0.427 273 P HA 0.655 nan 4.420 nan 0.000 0.292 273 P C -0.771 176.442 177.300 -0.145 0.000 1.300 273 P CA -0.482 62.553 63.100 -0.110 0.000 0.900 273 P CB 0.590 32.275 31.700 -0.024 0.000 1.139 274 F N 0.828 120.728 119.950 -0.083 0.000 2.535 274 F HA 0.413 4.940 4.527 0.000 0.000 0.332 274 F C 1.622 177.400 175.800 -0.036 0.000 1.208 274 F CA 1.926 59.888 58.000 -0.062 0.000 1.330 274 F CB -0.190 38.766 39.000 -0.074 0.000 1.167 274 F HN 0.629 nan 8.300 nan 0.000 0.597 275 G N 0.954 109.879 108.800 0.209 0.000 3.438 275 G HA2 0.374 4.334 3.960 0.000 0.000 0.684 275 G HA3 0.374 4.334 3.960 0.000 0.000 0.684 275 G C -0.482 174.462 174.900 0.073 0.000 1.192 275 G CA -0.792 44.383 45.100 0.126 0.000 1.013 275 G HN 1.060 nan 8.290 nan 0.000 0.530 276 G N 0.631 109.492 108.800 0.100 0.000 2.537 276 G HA2 0.755 4.715 3.960 0.000 0.000 0.297 276 G HA3 0.755 4.715 3.960 0.000 0.000 0.297 276 G C 0.060 174.993 174.900 0.055 0.000 1.310 276 G CA -0.323 44.827 45.100 0.084 0.000 1.027 276 G HN 0.895 nan 8.290 nan 0.000 0.505 277 E N -0.817 119.413 120.200 0.049 0.000 2.349 277 E HA 0.390 4.740 4.350 0.000 0.000 0.262 277 E C -0.319 176.299 176.600 0.029 0.000 1.088 277 E CA -0.660 55.757 56.400 0.029 0.000 0.899 277 E CB 0.799 30.512 29.700 0.022 0.000 1.044 277 E HN 0.232 nan 8.360 nan 0.000 0.420 278 I N 1.695 122.272 120.570 0.011 0.000 2.710 278 I HA -0.059 4.111 4.170 0.000 0.000 0.286 278 I C 1.004 177.125 176.117 0.007 0.000 1.181 278 I CA 0.581 61.880 61.300 -0.001 0.000 1.430 278 I CB 0.145 38.140 38.000 -0.007 0.000 1.367 278 I HN 0.651 nan 8.210 nan 0.000 0.577 279 I N 1.177 121.744 120.570 -0.005 0.000 4.124 279 I HA 0.416 4.586 4.170 0.000 0.000 0.311 279 I C 0.006 176.120 176.117 -0.005 0.000 1.259 279 I CA 0.471 61.778 61.300 0.011 0.000 1.315 279 I CB 0.133 38.164 38.000 0.051 0.000 1.223 279 I HN 0.618 nan 8.210 nan 0.000 0.441 280 D N -0.546 119.838 120.400 -0.027 0.000 2.946 280 D HA 0.208 4.848 4.640 0.000 0.000 0.337 280 D C 0.484 176.766 176.300 -0.029 0.000 1.332 280 D CA -0.431 53.555 54.000 -0.024 0.000 0.935 280 D CB 0.249 41.035 40.800 -0.023 0.000 1.440 280 D HN -0.086 nan 8.370 nan 0.000 0.540 281 E N -0.826 119.359 120.200 -0.025 0.000 2.209 281 E HA -0.076 4.274 4.350 0.000 0.000 0.196 281 E C 1.590 178.170 176.600 -0.032 0.000 0.993 281 E CA 1.172 57.558 56.400 -0.024 0.000 0.819 281 E CB -0.033 29.657 29.700 -0.018 0.000 0.745 281 E HN 0.250 nan 8.360 nan 0.000 0.477 282 R N -0.467 120.005 120.500 -0.046 0.000 2.276 282 R HA 0.224 4.564 4.340 0.000 0.000 0.196 282 R C 0.879 177.137 176.300 -0.071 0.000 0.961 282 R CA 0.698 56.764 56.100 -0.057 0.000 1.024 282 R CB 0.729 30.989 30.300 -0.067 0.000 0.940 282 R HN 0.212 nan 8.270 nan 0.000 0.480 283 G N -0.499 108.257 108.800 -0.073 0.000 2.295 283 G HA2 -0.079 3.881 3.960 0.000 0.000 0.195 283 G HA3 -0.079 3.881 3.960 0.000 0.000 0.195 283 G C -0.346 174.491 174.900 -0.104 0.000 1.269 283 G CA -0.640 44.416 45.100 -0.073 0.000 1.170 283 G HN 0.400 nan 8.290 nan 0.000 0.511 284 G N -1.812 106.921 108.800 -0.110 0.000 3.209 284 G HA2 0.635 4.595 3.960 0.000 0.000 0.236 284 G HA3 0.635 4.595 3.960 0.000 0.000 0.236 284 G C -1.522 173.230 174.900 -0.247 0.000 1.329 284 G CA -0.767 44.259 45.100 -0.124 0.000 1.015 284 G HN 0.721 nan 8.290 nan 0.000 0.571 285 Y N 0.767 121.080 120.300 0.022 0.000 2.404 285 Y HA 0.449 4.999 4.550 0.000 0.000 0.344 285 Y C 1.372 177.300 175.900 0.046 0.000 0.970 285 Y CA 0.017 58.136 58.100 0.031 0.000 1.180 285 Y CB 1.876 40.360 38.460 0.041 0.000 1.138 285 Y HN 0.525 nan 8.280 nan 0.000 0.510 286 A N 1.848 124.749 122.820 0.134 0.000 1.968 286 A HA -0.138 4.182 4.320 0.000 0.000 0.217 286 A C 1.280 178.952 177.584 0.146 0.000 1.169 286 A CA 1.494 53.593 52.037 0.102 0.000 0.638 286 A CB -0.237 18.781 19.000 0.029 0.000 0.812 286 A HN 0.788 nan 8.150 nan 0.000 0.446 287 D N -0.522 119.964 120.400 0.143 0.000 2.491 287 D HA 0.166 4.806 4.640 0.000 0.000 0.228 287 D C 0.332 176.809 176.300 0.295 0.000 1.183 287 D CA -0.130 53.895 54.000 0.041 0.000 0.827 287 D CB -0.112 40.657 40.800 -0.051 0.000 0.989 287 D HN 0.425 nan 8.370 nan 0.000 0.494 288 R N -0.952 119.820 120.500 0.452 0.000 2.799 288 R HA 0.765 5.105 4.340 0.000 0.000 0.270 288 R C -1.557 174.847 176.300 0.174 0.000 1.010 288 R CA -1.228 55.069 56.100 0.328 0.000 0.916 288 R CB 2.818 33.168 30.300 0.083 0.000 1.228 288 R HN -0.014 nan 8.270 nan 0.000 0.469 289 V N 0.158 120.031 119.914 -0.068 0.000 3.000 289 V HA 0.501 4.621 4.120 0.000 0.000 0.300 289 V C -1.611 174.392 176.094 -0.152 0.000 1.251 289 V CA -0.249 61.937 62.300 -0.189 0.000 0.972 289 V CB 2.716 34.260 31.823 -0.466 0.000 1.065 289 V HN 0.833 nan 8.190 nan 0.000 0.431 290 T N 7.309 121.800 114.554 -0.105 0.000 2.812 290 T HA 0.749 5.099 4.350 0.000 0.000 0.282 290 T C -0.971 173.682 174.700 -0.078 0.000 0.990 290 T CA -0.268 61.785 62.100 -0.078 0.000 0.960 290 T CB 1.185 70.027 68.868 -0.043 0.000 0.948 290 T HN 0.492 nan 8.240 nan 0.000 0.438 291 L N 2.924 124.103 121.223 -0.074 0.000 2.330 291 L HA 0.647 4.987 4.340 0.000 0.000 0.271 291 L C 0.405 177.244 176.870 -0.051 0.000 1.013 291 L CA -0.684 54.116 54.840 -0.067 0.000 0.816 291 L CB 1.230 43.244 42.059 -0.074 0.000 1.287 291 L HN 0.415 nan 8.230 nan 0.000 0.435 292 R N 2.831 123.301 120.500 -0.050 0.000 2.451 292 R HA 0.660 5.000 4.340 0.000 0.000 0.307 292 R C -1.499 174.771 176.300 -0.050 0.000 0.965 292 R CA -0.617 55.454 56.100 -0.048 0.000 0.865 292 R CB 1.463 31.736 30.300 -0.046 0.000 1.174 292 R HN 0.477 nan 8.270 nan 0.000 0.455 293 L N 2.615 123.809 121.223 -0.049 0.000 2.307 293 L HA 0.460 4.800 4.340 0.000 0.000 0.284 293 L C 0.055 176.893 176.870 -0.053 0.000 1.023 293 L CA -0.945 53.864 54.840 -0.051 0.000 0.810 293 L CB 1.495 43.523 42.059 -0.051 0.000 1.231 293 L HN 0.466 nan 8.230 nan 0.000 0.423 294 N N 1.923 120.587 118.700 -0.061 0.000 2.498 294 N HA 0.471 5.211 4.740 0.000 0.000 0.287 294 N C -1.004 174.454 175.510 -0.087 0.000 1.097 294 N CA -0.313 52.696 53.050 -0.068 0.000 0.973 294 N CB 2.847 41.298 38.487 -0.061 0.000 1.153 294 N HN 0.219 nan 8.380 nan 0.000 0.472 295 V N 2.022 121.868 119.914 -0.112 0.000 2.569 295 V HA 0.192 4.312 4.120 0.000 0.000 0.301 295 V C -0.135 175.874 176.094 -0.142 0.000 1.044 295 V CA -0.843 61.357 62.300 -0.167 0.000 0.874 295 V CB 2.064 33.693 31.823 -0.322 0.000 1.002 295 V HN 0.535 nan 8.190 nan 0.000 0.424 296 E N 3.705 123.846 120.200 -0.099 0.000 2.301 296 E HA 0.281 4.631 4.350 0.000 0.000 0.275 296 E C -0.091 176.479 176.600 -0.050 0.000 1.030 296 E CA -0.392 55.974 56.400 -0.057 0.000 0.852 296 E CB 0.661 30.340 29.700 -0.035 0.000 1.060 296 E HN 0.711 nan 8.360 nan 0.000 0.401 297 N N 1.339 120.032 118.700 -0.012 0.000 2.689 297 N HA -0.131 4.609 4.740 0.000 0.000 0.263 297 N C -2.386 173.120 175.510 -0.008 0.000 0.987 297 N CA 0.360 53.418 53.050 0.015 0.000 0.782 297 N CB -1.365 37.135 38.487 0.022 0.000 0.903 297 N HN 0.318 nan 8.380 nan 0.000 0.547 298 P HA 0.130 nan 4.420 nan 0.000 0.272 298 P C 0.100 177.415 177.300 0.026 0.000 1.230 298 P CA 0.163 63.152 63.100 -0.185 0.000 0.788 298 P CB 0.854 32.192 31.700 -0.604 0.000 0.949 299 K N 1.338 121.836 120.400 0.162 0.000 2.234 299 K HA 0.393 4.713 4.320 0.000 0.000 0.277 299 K C -0.157 176.610 176.600 0.278 0.000 1.038 299 K CA -0.540 55.854 56.287 0.178 0.000 0.888 299 K CB 0.492 33.064 32.500 0.120 0.000 1.091 299 K HN 0.382 nan 8.250 nan 0.000 0.467 300 L N 2.379 123.690 121.223 0.146 0.000 2.395 300 L HA 0.338 4.678 4.340 0.000 0.000 0.269 300 L C -0.113 176.842 176.870 0.142 0.000 1.133 300 L CA -0.794 54.141 54.840 0.158 0.000 0.812 300 L CB 0.416 42.426 42.059 -0.082 0.000 1.125 300 L HN 0.599 nan 8.230 nan 0.000 0.452 301 W N 2.895 124.232 121.300 0.062 0.000 2.376 301 W HA 0.497 5.157 4.660 0.000 0.000 0.322 301 W C -0.299 176.173 176.519 -0.079 0.000 1.160 301 W CA 0.128 57.487 57.345 0.024 0.000 1.218 301 W CB 1.268 30.789 29.460 0.102 0.000 1.205 301 W HN 0.609 nan 8.180 nan 0.000 0.559 302 S N 2.792 117.849 115.700 -1.072 0.000 2.588 302 S HA 0.611 5.081 4.470 0.000 0.000 0.269 302 S C 0.029 173.814 174.600 -1.358 0.000 1.157 302 S CA -0.439 57.239 58.200 -0.870 0.000 0.824 302 S CB 1.261 64.201 63.200 -0.433 0.000 1.126 302 S HN 0.814 nan 8.310 nan 0.000 0.464 303 A N 0.343 122.572 122.820 -0.985 0.000 2.066 303 A HA 0.043 4.363 4.320 0.000 0.000 0.218 303 A C 1.686 178.926 177.584 -0.574 0.000 1.157 303 A CA 1.270 52.694 52.037 -1.022 0.000 0.670 303 A CB -0.779 17.383 19.000 -1.397 0.000 0.804 303 A HN 0.863 nan 8.150 nan 0.000 0.453 304 E N -0.808 119.198 120.200 -0.324 0.000 2.106 304 E HA 0.030 4.380 4.350 0.000 0.000 0.192 304 E C -0.279 176.169 176.600 -0.254 0.000 0.984 304 E CA 0.778 57.061 56.400 -0.195 0.000 0.806 304 E CB 0.020 29.746 29.700 0.042 0.000 0.750 304 E HN 0.604 nan 8.360 nan 0.000 0.458 305 I N 0.947 121.309 120.570 -0.346 0.000 2.588 305 I HA 0.140 4.310 4.170 0.000 0.000 0.278 305 I C -2.624 173.223 176.117 -0.451 0.000 1.144 305 I CA -1.851 59.270 61.300 -0.299 0.000 1.074 305 I CB 2.153 40.037 38.000 -0.192 0.000 1.235 305 I HN -0.234 nan 8.210 nan 0.000 0.472 306 P HA 0.064 nan 4.420 nan 0.000 0.231 306 P C -0.497 176.794 177.300 -0.015 0.000 1.756 306 P CA -0.097 62.680 63.100 -0.539 0.000 0.990 306 P CB -0.371 31.233 31.700 -0.161 0.000 1.973 307 N N 1.785 120.495 118.700 0.017 0.000 2.468 307 N HA 0.129 4.869 4.740 0.000 0.000 0.265 307 N C 0.077 175.805 175.510 0.363 0.000 1.199 307 N CA 0.370 53.504 53.050 0.141 0.000 0.928 307 N CB 0.620 39.173 38.487 0.109 0.000 1.059 307 N HN 0.266 nan 8.380 nan 0.000 0.467 308 L N 2.368 123.714 121.223 0.205 0.000 2.319 308 L HA 0.525 4.865 4.340 0.000 0.000 0.267 308 L C -0.804 176.142 176.870 0.127 0.000 1.011 308 L CA -0.880 54.111 54.840 0.252 0.000 0.818 308 L CB 1.164 43.346 42.059 0.204 0.000 1.316 308 L HN 0.400 nan 8.230 nan 0.000 0.432 309 Y N -0.027 120.402 120.300 0.215 0.000 2.576 309 Y HA 0.566 5.116 4.550 0.000 0.000 0.346 309 Y C -0.337 175.670 175.900 0.180 0.000 1.018 309 Y CA -0.809 57.425 58.100 0.224 0.000 1.050 309 Y CB 2.096 40.742 38.460 0.310 0.000 1.280 309 Y HN 0.385 nan 8.280 nan 0.000 0.474 310 R N 1.245 121.981 120.500 0.394 0.000 2.445 310 R HA 0.869 5.209 4.340 0.000 0.000 0.308 310 R C -1.498 174.994 176.300 0.321 0.000 0.961 310 R CA -0.666 55.601 56.100 0.278 0.000 0.862 310 R CB 1.110 31.500 30.300 0.149 0.000 1.144 310 R HN 0.804 nan 8.270 nan 0.000 0.447 311 A N 3.804 126.755 122.820 0.218 0.000 2.331 311 A HA 0.588 4.908 4.320 0.000 0.000 0.320 311 A C -1.112 176.547 177.584 0.124 0.000 1.138 311 A CA -0.657 51.495 52.037 0.192 0.000 0.790 311 A CB 1.508 20.598 19.000 0.151 0.000 1.206 311 A HN 0.456 nan 8.150 nan 0.000 0.470 312 V N 2.170 122.162 119.914 0.130 0.000 2.448 312 V HA 0.526 4.646 4.120 0.000 0.000 0.295 312 V C -0.374 175.706 176.094 -0.024 0.000 1.025 312 V CA -0.692 61.628 62.300 0.034 0.000 0.859 312 V CB 1.397 33.246 31.823 0.044 0.000 0.988 312 V HN 0.582 nan 8.190 nan 0.000 0.431 313 V N 5.007 124.849 119.914 -0.121 0.000 2.334 313 V HA 0.439 4.559 4.120 0.000 0.000 0.281 313 V C -0.036 176.001 176.094 -0.096 0.000 1.016 313 V CA -0.480 61.719 62.300 -0.169 0.000 0.832 313 V CB 1.147 32.722 31.823 -0.414 0.000 0.999 313 V HN 1.046 nan 8.190 nan 0.000 0.439 314 E N 5.058 125.250 120.200 -0.013 0.000 2.176 314 E HA 0.576 4.926 4.350 0.000 0.000 0.267 314 E C -1.111 175.577 176.600 0.147 0.000 0.893 314 E CA -1.070 55.372 56.400 0.069 0.000 0.761 314 E CB 2.790 32.546 29.700 0.093 0.000 1.133 314 E HN 0.411 nan 8.360 nan 0.000 0.409 315 L N 5.317 126.595 121.223 0.093 0.000 2.255 315 L HA 0.285 4.625 4.340 0.000 0.000 0.289 315 L C -0.686 176.248 176.870 0.106 0.000 1.046 315 L CA 0.069 54.937 54.840 0.047 0.000 0.816 315 L CB -0.098 41.966 42.059 0.009 0.000 1.197 315 L HN 0.699 nan 8.230 nan 0.000 0.427 316 H N 1.205 120.295 119.070 0.032 0.000 2.942 316 H HA 0.617 5.173 4.556 0.000 0.000 0.316 316 H C -0.966 174.405 175.328 0.071 0.000 1.323 316 H CA -0.342 55.732 56.048 0.044 0.000 1.144 316 H CB 0.987 30.770 29.762 0.035 0.000 1.866 316 H HN 0.474 nan 8.280 nan 0.000 0.545 317 T N -2.822 111.867 114.554 0.226 0.000 2.927 317 T HA 0.526 4.876 4.350 0.000 0.000 0.281 317 T C 1.439 176.316 174.700 0.295 0.000 0.998 317 T CA -0.196 62.048 62.100 0.240 0.000 1.019 317 T CB 1.389 70.447 68.868 0.317 0.000 1.061 317 T HN 0.776 nan 8.240 nan 0.000 0.518 318 A N 1.007 123.971 122.820 0.240 0.000 2.024 318 A HA -0.085 4.235 4.320 0.000 0.000 0.220 318 A C 1.817 179.500 177.584 0.165 0.000 1.164 318 A CA 1.976 54.129 52.037 0.194 0.000 0.643 318 A CB -1.282 17.814 19.000 0.160 0.000 0.806 318 A HN 1.035 nan 8.150 nan 0.000 0.451 319 D N -2.967 117.518 120.400 0.142 0.000 2.269 319 D HA 0.268 4.908 4.640 0.000 0.000 0.208 319 D C 1.255 177.603 176.300 0.081 0.000 0.963 319 D CA 1.360 55.410 54.000 0.084 0.000 0.864 319 D CB -0.146 40.682 40.800 0.046 0.000 0.936 319 D HN 0.669 nan 8.370 nan 0.000 0.505 320 G N -1.270 107.604 108.800 0.125 0.000 2.367 320 G HA2 -0.199 3.761 3.960 0.000 0.000 0.181 320 G HA3 -0.199 3.761 3.960 0.000 0.000 0.181 320 G C 0.329 175.261 174.900 0.054 0.000 1.000 320 G CA -0.042 45.090 45.100 0.052 0.000 0.693 320 G HN 0.329 nan 8.290 nan 0.000 0.480 321 T N 2.139 116.753 114.554 0.101 0.000 2.817 321 T HA 0.405 4.755 4.350 0.000 0.000 0.295 321 T C 0.506 175.289 174.700 0.138 0.000 0.958 321 T CA 0.154 62.311 62.100 0.094 0.000 1.157 321 T CB 1.069 69.990 68.868 0.088 0.000 0.898 321 T HN 0.483 nan 8.240 nan 0.000 0.536 322 L N 4.858 126.140 121.223 0.097 0.000 2.331 322 L HA 0.256 4.596 4.340 0.000 0.000 0.278 322 L C 0.618 177.547 176.870 0.099 0.000 1.106 322 L CA -0.463 54.447 54.840 0.118 0.000 0.824 322 L CB 0.465 42.563 42.059 0.066 0.000 1.142 322 L HN 0.578 nan 8.230 nan 0.000 0.443 323 I N 3.315 123.945 120.570 0.099 0.000 2.494 323 I HA 0.104 4.274 4.170 0.000 0.000 0.250 323 I C 0.601 176.734 176.117 0.025 0.000 1.112 323 I CA 0.802 62.131 61.300 0.049 0.000 1.438 323 I CB -0.175 37.839 38.000 0.022 0.000 1.111 323 I HN 0.801 nan 8.210 nan 0.000 0.431 324 E N -0.595 119.624 120.200 0.032 0.000 2.421 324 E HA 0.675 5.025 4.350 0.000 0.000 0.278 324 E C -1.674 174.950 176.600 0.040 0.000 1.141 324 E CA -1.035 55.381 56.400 0.027 0.000 0.880 324 E CB 0.981 30.662 29.700 -0.031 0.000 1.381 324 E HN -0.073 nan 8.360 nan 0.000 0.436 325 A N 0.925 123.795 122.820 0.084 0.000 2.539 325 A HA 0.738 5.058 4.320 0.000 0.000 0.296 325 A C -1.255 176.453 177.584 0.208 0.000 1.073 325 A CA -0.687 51.407 52.037 0.093 0.000 0.700 325 A CB 1.911 20.954 19.000 0.072 0.000 1.296 325 A HN 0.515 nan 8.150 nan 0.000 0.405 326 E N -0.452 119.802 120.200 0.090 0.000 2.393 326 E HA 0.766 5.116 4.350 0.000 0.000 0.273 326 E C -0.631 175.993 176.600 0.039 0.000 0.918 326 E CA -0.621 55.902 56.400 0.205 0.000 0.773 326 E CB 2.510 32.277 29.700 0.113 0.000 1.275 326 E HN 1.162 nan 8.360 nan 0.000 0.451 327 A N 0.179 123.135 122.820 0.227 0.000 2.588 327 A HA 0.859 5.179 4.320 0.000 0.000 0.290 327 A C -1.115 176.648 177.584 0.300 0.000 1.136 327 A CA -0.393 51.712 52.037 0.112 0.000 0.681 327 A CB 1.195 20.132 19.000 -0.105 0.000 1.282 327 A HN 0.935 nan 8.150 nan 0.000 0.421 328 C N -0.816 118.620 119.300 0.226 0.000 3.292 328 C HA 0.728 5.188 4.460 0.000 0.000 0.338 328 C C -1.544 173.532 174.990 0.144 0.000 1.323 328 C CA -0.987 58.157 59.018 0.211 0.000 1.232 328 C CB 0.886 28.765 27.740 0.232 0.000 1.517 328 C HN 0.829 nan 8.230 nan 0.000 0.470 329 D N 0.829 121.292 120.400 0.105 0.000 2.264 329 D HA 0.572 5.212 4.640 0.000 0.000 0.249 329 D C -0.507 175.830 176.300 0.061 0.000 1.070 329 D CA 0.155 54.217 54.000 0.104 0.000 0.912 329 D CB 2.081 42.941 40.800 0.101 0.000 1.193 329 D HN 0.529 nan 8.370 nan 0.000 0.427 330 V N 0.696 120.675 119.914 0.107 0.000 2.656 330 V HA 0.645 4.765 4.120 0.000 0.000 0.307 330 V C 0.370 176.503 176.094 0.066 0.000 1.051 330 V CA -0.731 61.577 62.300 0.015 0.000 0.893 330 V CB 2.195 34.016 31.823 -0.003 0.000 0.999 330 V HN 0.645 nan 8.190 nan 0.000 0.426 331 G N 2.765 111.491 108.800 -0.124 0.000 2.544 331 G HA2 0.643 4.603 3.960 0.000 0.000 0.313 331 G HA3 0.643 4.603 3.960 0.000 0.000 0.313 331 G C -1.242 173.645 174.900 -0.022 0.000 1.316 331 G CA -0.399 44.702 45.100 0.001 0.000 0.944 331 G HN 0.409 nan 8.290 nan 0.000 0.489 332 F N 2.254 122.387 119.950 0.303 0.000 2.404 332 F HA 0.561 5.088 4.527 0.000 0.000 0.359 332 F C 0.918 176.958 175.800 0.400 0.000 1.134 332 F CA -0.301 57.932 58.000 0.388 0.000 1.160 332 F CB 1.110 40.357 39.000 0.412 0.000 1.186 332 F HN 0.553 nan 8.300 nan 0.000 0.526 333 R N 1.213 122.014 120.500 0.502 0.000 2.634 333 R HA 0.461 4.801 4.340 0.000 0.000 0.263 333 R C -1.762 174.685 176.300 0.244 0.000 1.060 333 R CA -1.073 55.172 56.100 0.242 0.000 0.898 333 R CB 1.424 31.886 30.300 0.270 0.000 1.253 333 R HN 0.459 nan 8.270 nan 0.000 0.461 334 E N 2.100 122.345 120.200 0.074 0.000 2.199 334 E HA 0.474 4.824 4.350 0.000 0.000 0.265 334 E C -1.290 175.366 176.600 0.093 0.000 0.882 334 E CA -1.019 55.479 56.400 0.162 0.000 0.759 334 E CB 2.022 31.853 29.700 0.219 0.000 1.148 334 E HN 0.430 nan 8.360 nan 0.000 0.412 335 V N 5.489 125.457 119.914 0.090 0.000 2.417 335 V HA 0.584 4.704 4.120 0.000 0.000 0.291 335 V C -0.182 175.944 176.094 0.054 0.000 1.024 335 V CA -0.557 61.770 62.300 0.045 0.000 0.861 335 V CB 1.259 33.090 31.823 0.013 0.000 0.985 335 V HN 0.752 nan 8.190 nan 0.000 0.436 336 R N 4.462 124.989 120.500 0.046 0.000 2.692 336 R HA 0.689 5.029 4.340 0.000 0.000 0.269 336 R C -2.103 174.217 176.300 0.034 0.000 1.030 336 R CA -0.864 55.266 56.100 0.050 0.000 0.882 336 R CB 1.742 32.085 30.300 0.072 0.000 1.250 336 R HN 0.531 nan 8.270 nan 0.000 0.465 337 I N 1.832 122.423 120.570 0.035 0.000 2.330 337 I HA 0.328 4.498 4.170 0.000 0.000 0.289 337 I C -0.558 175.577 176.117 0.031 0.000 1.001 337 I CA -0.357 60.959 61.300 0.027 0.000 1.193 337 I CB 1.699 39.716 38.000 0.029 0.000 1.345 337 I HN 0.668 nan 8.210 nan 0.000 0.461 338 E N 6.263 126.478 120.200 0.024 0.000 2.263 338 E HA 0.222 4.572 4.350 0.000 0.000 0.268 338 E C -0.386 176.225 176.600 0.018 0.000 0.884 338 E CA -0.627 55.789 56.400 0.026 0.000 0.766 338 E CB 1.049 30.769 29.700 0.034 0.000 1.196 338 E HN 0.549 nan 8.360 nan 0.000 0.416 339 N N 3.441 122.151 118.700 0.018 0.000 2.725 339 N HA -0.233 4.507 4.740 0.000 0.000 0.251 339 N C 0.427 175.942 175.510 0.007 0.000 1.031 339 N CA 1.960 55.018 53.050 0.013 0.000 0.720 339 N CB -1.236 37.258 38.487 0.011 0.000 0.930 339 N HN 0.973 nan 8.380 nan 0.000 0.543 340 G N -1.983 106.821 108.800 0.008 0.000 2.179 340 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 340 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 340 G C -0.028 174.866 174.900 -0.010 0.000 0.977 340 G CA 0.622 45.723 45.100 0.001 0.000 0.641 340 G HN 0.520 nan 8.290 nan 0.000 0.533 341 L N -0.164 121.055 121.223 -0.008 0.000 2.354 341 L HA 0.747 5.087 4.340 0.000 0.000 0.269 341 L C -0.103 176.756 176.870 -0.018 0.000 1.005 341 L CA -1.361 53.467 54.840 -0.021 0.000 0.819 341 L CB 1.898 43.944 42.059 -0.022 0.000 1.311 341 L HN 0.077 nan 8.230 nan 0.000 0.423 342 L N 3.739 124.940 121.223 -0.038 0.000 2.260 342 L HA 0.514 4.854 4.340 0.000 0.000 0.289 342 L C -0.861 175.983 176.870 -0.043 0.000 1.057 342 L CA 0.295 55.112 54.840 -0.039 0.000 0.811 342 L CB 0.482 42.504 42.059 -0.061 0.000 1.184 342 L HN 0.378 nan 8.230 nan 0.000 0.429 343 L N 5.672 126.885 121.223 -0.017 0.000 2.333 343 L HA 0.612 4.952 4.340 0.000 0.000 0.269 343 L C -0.869 176.002 176.870 0.001 0.000 1.010 343 L CA -0.842 53.995 54.840 -0.004 0.000 0.818 343 L CB 1.992 44.070 42.059 0.031 0.000 1.306 343 L HN 0.558 nan 8.230 nan 0.000 0.430 344 L N 2.693 123.927 121.223 0.019 0.000 2.376 344 L HA 0.495 4.835 4.340 0.000 0.000 0.275 344 L C -0.475 176.426 176.870 0.052 0.000 0.987 344 L CA -0.233 54.628 54.840 0.036 0.000 0.828 344 L CB 1.099 43.176 42.059 0.031 0.000 1.249 344 L HN 0.648 nan 8.230 nan 0.000 0.409 345 N N 4.115 122.741 118.700 -0.123 0.000 2.716 345 N HA -0.226 4.514 4.740 0.000 0.000 0.250 345 N C 0.894 176.163 175.510 -0.403 0.000 1.033 345 N CA 1.412 54.134 53.050 -0.546 0.000 0.727 345 N CB -1.161 36.890 38.487 -0.727 0.000 0.950 345 N HN 1.172 nan 8.380 nan 0.000 0.541 346 G N -1.991 106.795 108.800 -0.024 0.000 2.225 346 G HA2 -0.346 3.614 3.960 0.000 0.000 0.254 346 G HA3 -0.346 3.614 3.960 0.000 0.000 0.254 346 G C -0.058 174.880 174.900 0.063 0.000 0.988 346 G CA 0.841 46.007 45.100 0.109 0.000 0.625 346 G HN 0.501 nan 8.290 nan 0.000 0.527 347 K N 0.998 121.427 120.400 0.050 0.000 2.208 347 K HA 0.547 4.867 4.320 0.000 0.000 0.247 347 K C -3.019 173.561 176.600 -0.032 0.000 0.953 347 K CA -2.111 54.163 56.287 -0.021 0.000 0.837 347 K CB 2.676 35.086 32.500 -0.150 0.000 1.131 347 K HN 0.048 nan 8.250 nan 0.000 0.431 348 P HA 0.216 nan 4.420 nan 0.000 0.282 348 P C -0.251 176.988 177.300 -0.101 0.000 1.274 348 P CA -0.176 62.881 63.100 -0.072 0.000 0.770 348 P CB 0.553 32.212 31.700 -0.069 0.000 0.867 349 L N 3.410 124.567 121.223 -0.109 0.000 2.456 349 L HA 0.422 4.762 4.340 0.000 0.000 0.257 349 L C 0.430 177.217 176.870 -0.139 0.000 1.162 349 L CA -0.805 53.958 54.840 -0.128 0.000 0.808 349 L CB 0.570 42.520 42.059 -0.181 0.000 1.136 349 L HN 0.235 nan 8.230 nan 0.000 0.466 350 L N 2.777 123.930 121.223 -0.117 0.000 2.471 350 L HA 0.414 4.754 4.340 0.000 0.000 0.263 350 L C -0.707 176.103 176.870 -0.099 0.000 0.985 350 L CA -0.198 54.557 54.840 -0.141 0.000 0.868 350 L CB 0.999 43.002 42.059 -0.094 0.000 1.203 350 L HN 0.217 nan 8.230 nan 0.000 0.429 351 I N 4.517 124.965 120.570 -0.203 0.000 2.436 351 I HA 0.214 4.384 4.170 0.000 0.000 0.289 351 I C 0.565 176.608 176.117 -0.123 0.000 1.083 351 I CA 0.127 61.314 61.300 -0.189 0.000 1.372 351 I CB 0.524 38.288 38.000 -0.393 0.000 1.408 351 I HN 0.553 nan 8.210 nan 0.000 0.516 352 R N 4.744 125.249 120.500 0.009 0.000 3.070 352 R HA 0.448 4.788 4.340 0.000 0.000 0.252 352 R C 0.545 176.918 176.300 0.123 0.000 1.370 352 R CA -0.262 55.868 56.100 0.050 0.000 1.482 352 R CB 0.752 30.949 30.300 -0.172 0.000 1.220 352 R HN 0.774 nan 8.270 nan 0.000 0.622 353 G N 0.075 108.896 108.800 0.035 0.000 2.509 353 G HA2 0.591 4.551 3.960 0.000 0.000 0.328 353 G HA3 0.591 4.551 3.960 0.000 0.000 0.328 353 G C -1.263 173.926 174.900 0.482 0.000 1.194 353 G CA -0.481 44.647 45.100 0.047 0.000 0.967 353 G HN 0.229 nan 8.290 nan 0.000 0.488 354 V N 0.227 120.464 119.914 0.538 0.000 3.012 354 V HA 0.462 4.582 4.120 0.000 0.000 0.307 354 V C -1.168 175.070 176.094 0.240 0.000 1.166 354 V CA -1.196 61.293 62.300 0.316 0.000 0.974 354 V CB 2.242 33.970 31.823 -0.158 0.000 1.040 354 V HN 0.784 nan 8.190 nan 0.000 0.428 355 N N 4.273 123.022 118.700 0.081 0.000 2.518 355 N HA 0.519 5.259 4.740 0.000 0.000 0.283 355 N C -0.800 174.500 175.510 -0.352 0.000 1.119 355 N CA -0.424 52.531 53.050 -0.159 0.000 0.983 355 N CB 1.758 40.136 38.487 -0.180 0.000 1.139 355 N HN 0.670 nan 8.380 nan 0.000 0.465 356 R N 1.687 121.943 120.500 -0.408 0.000 2.533 356 R HA 0.251 4.591 4.340 0.000 0.000 0.288 356 R C -1.191 174.860 176.300 -0.415 0.000 1.039 356 R CA -0.557 55.317 56.100 -0.377 0.000 0.909 356 R CB 1.091 31.176 30.300 -0.358 0.000 1.195 356 R HN 0.579 nan 8.270 nan 0.000 0.438 357 H N 2.001 120.917 119.070 -0.257 0.000 2.495 357 H HA 0.171 4.727 4.556 0.000 0.000 0.350 357 H C -0.549 174.761 175.328 -0.030 0.000 1.202 357 H CA -0.214 55.770 56.048 -0.106 0.000 1.322 357 H CB 1.668 31.423 29.762 -0.012 0.000 1.544 357 H HN 0.566 nan 8.280 nan 0.000 0.565 358 E N 1.656 122.037 120.200 0.302 0.000 1.963 358 E HA 0.106 4.456 4.350 0.000 0.000 0.274 358 E C -0.766 175.958 176.600 0.207 0.000 1.061 358 E CA 0.008 56.498 56.400 0.151 0.000 0.847 358 E CB 0.147 29.943 29.700 0.160 0.000 1.083 358 E HN 0.398 nan 8.360 nan 0.000 0.402 359 H N 1.603 120.710 119.070 0.062 0.000 2.947 359 H HA 0.229 4.785 4.556 0.000 0.000 0.354 359 H C -1.647 173.707 175.328 0.043 0.000 1.085 359 H CA -0.696 55.383 56.048 0.051 0.000 1.253 359 H CB 1.027 30.809 29.762 0.035 0.000 1.757 359 H HN 0.362 nan 8.280 nan 0.000 0.523 360 H N 6.526 125.274 119.070 -0.537 0.000 2.744 360 H HA 0.196 4.752 4.556 0.000 0.000 0.339 360 H C -2.215 172.700 175.328 -0.689 0.000 1.004 360 H CA -2.442 53.337 56.048 -0.448 0.000 1.257 360 H CB 2.441 32.059 29.762 -0.240 0.000 1.552 360 H HN 0.558 nan 8.280 nan 0.000 0.522 361 P HA -0.153 nan 4.420 nan 0.000 0.216 361 P C 1.392 178.579 177.300 -0.187 0.000 1.150 361 P CA 1.019 63.930 63.100 -0.314 0.000 0.843 361 P CB 0.798 32.340 31.700 -0.263 0.000 0.787 362 L N -2.012 119.232 121.223 0.034 0.000 2.262 362 L HA 0.051 4.391 4.340 0.000 0.000 0.197 362 L C 2.444 179.226 176.870 -0.147 0.000 1.073 362 L CA 0.844 55.631 54.840 -0.087 0.000 0.800 362 L CB -0.765 41.127 42.059 -0.277 0.000 0.987 362 L HN 0.013 nan 8.230 nan 0.000 0.470 363 H N -0.484 118.510 119.070 -0.126 0.000 2.547 363 H HA 0.161 4.717 4.556 0.000 0.000 0.266 363 H C 1.450 176.644 175.328 -0.223 0.000 0.988 363 H CA 0.078 55.958 56.048 -0.280 0.000 1.147 363 H CB 0.240 29.712 29.762 -0.482 0.000 1.365 363 H HN 0.471 nan 8.280 nan 0.000 0.589 364 G N 1.551 110.254 108.800 -0.162 0.000 2.543 364 G HA2 -0.403 3.557 3.960 0.000 0.000 0.286 364 G HA3 -0.403 3.557 3.960 0.000 0.000 0.286 364 G C 0.580 175.370 174.900 -0.183 0.000 1.153 364 G CA 0.350 45.290 45.100 -0.267 0.000 0.968 364 G HN 0.478 nan 8.290 nan 0.000 0.544 365 Q N 0.080 119.785 119.800 -0.158 0.000 2.247 365 Q HA 0.444 4.784 4.340 0.000 0.000 0.205 365 Q C 0.303 176.324 176.000 0.034 0.000 0.896 365 Q CA -0.037 55.702 55.803 -0.107 0.000 0.950 365 Q CB 0.768 29.334 28.738 -0.287 0.000 1.054 365 Q HN 0.372 nan 8.270 nan 0.000 0.482 366 V N 1.863 121.804 119.914 0.046 0.000 2.432 366 V HA 0.212 4.332 4.120 0.000 0.000 0.275 366 V C 0.126 176.259 176.094 0.064 0.000 1.043 366 V CA -0.257 62.096 62.300 0.087 0.000 0.925 366 V CB 1.002 32.829 31.823 0.006 0.000 0.985 366 V HN 0.323 nan 8.190 nan 0.000 0.466 367 M N 4.440 124.078 119.600 0.064 0.000 2.471 367 M HA 0.562 5.042 4.480 0.000 0.000 0.309 367 M C -0.447 175.810 176.300 -0.072 0.000 1.186 367 M CA -0.602 54.695 55.300 -0.005 0.000 1.008 367 M CB 1.455 34.009 32.600 -0.077 0.000 1.551 367 M HN 0.973 nan 8.290 nan 0.000 0.477 368 D N -2.280 118.083 120.400 -0.062 0.000 2.655 368 D HA 0.213 4.853 4.640 0.000 0.000 0.229 368 D C 0.195 176.491 176.300 -0.008 0.000 1.229 368 D CA -0.692 53.279 54.000 -0.049 0.000 0.807 368 D CB 1.295 42.101 40.800 0.010 0.000 1.514 368 D HN 0.664 nan 8.370 nan 0.000 0.444 369 E N 0.118 120.322 120.200 0.008 0.000 2.086 369 E HA -0.410 3.940 4.350 0.000 0.000 0.205 369 E C 1.628 178.282 176.600 0.091 0.000 1.027 369 E CA 1.844 58.282 56.400 0.064 0.000 0.830 369 E CB 0.063 29.814 29.700 0.085 0.000 0.751 369 E HN 0.571 nan 8.360 nan 0.000 0.456 370 Q N -0.331 119.521 119.800 0.087 0.000 2.077 370 Q HA -0.199 4.141 4.340 0.000 0.000 0.206 370 Q C 2.216 178.280 176.000 0.106 0.000 0.989 370 Q CA 2.505 58.366 55.803 0.097 0.000 0.853 370 Q CB -0.333 28.462 28.738 0.095 0.000 0.907 370 Q HN 0.375 nan 8.270 nan 0.000 0.418 371 T N 1.161 115.786 114.554 0.118 0.000 2.674 371 T HA -0.153 4.197 4.350 0.000 0.000 0.265 371 T C 2.009 176.788 174.700 0.131 0.000 1.039 371 T CA 1.635 63.813 62.100 0.130 0.000 1.150 371 T CB -0.246 68.715 68.868 0.155 0.000 0.864 371 T HN 0.299 nan 8.240 nan 0.000 0.427 372 M N 0.713 120.393 119.600 0.134 0.000 2.113 372 M HA -0.182 4.298 4.480 0.000 0.000 0.255 372 M C 2.450 178.879 176.300 0.215 0.000 1.073 372 M CA 1.682 57.125 55.300 0.238 0.000 1.091 372 M CB -0.924 31.845 32.600 0.281 0.000 1.309 372 M HN 0.125 nan 8.290 nan 0.000 0.407 373 V N -0.134 119.853 119.914 0.122 0.000 2.332 373 V HA -0.306 3.814 4.120 0.000 0.000 0.248 373 V C 2.289 178.378 176.094 -0.008 0.000 1.055 373 V CA 2.054 64.359 62.300 0.009 0.000 1.038 373 V CB -0.966 30.884 31.823 0.045 0.000 0.651 373 V HN 0.552 nan 8.190 nan 0.000 0.450 374 Q N -0.193 119.648 119.800 0.068 0.000 2.045 374 Q HA -0.288 4.052 4.340 0.000 0.000 0.206 374 Q C 2.115 178.192 176.000 0.128 0.000 0.991 374 Q CA 2.281 58.138 55.803 0.090 0.000 0.851 374 Q CB -0.178 28.627 28.738 0.112 0.000 0.911 374 Q HN 0.625 nan 8.270 nan 0.000 0.418 375 D N 0.246 120.749 120.400 0.172 0.000 2.116 375 D HA -0.189 4.451 4.640 0.000 0.000 0.193 375 D C 1.884 178.178 176.300 -0.010 0.000 0.998 375 D CA 1.218 55.342 54.000 0.206 0.000 0.836 375 D CB -0.312 40.582 40.800 0.157 0.000 0.951 375 D HN 0.336 nan 8.370 nan 0.000 0.449 376 I N 0.642 121.181 120.570 -0.052 0.000 2.163 376 I HA -0.263 3.907 4.170 0.000 0.000 0.243 376 I C 2.467 178.475 176.117 -0.182 0.000 1.085 376 I CA 0.711 61.884 61.300 -0.211 0.000 1.347 376 I CB -0.208 37.572 38.000 -0.367 0.000 1.044 376 I HN 0.062 nan 8.210 nan 0.000 0.408 377 L N 0.211 121.361 121.223 -0.122 0.000 2.012 377 L HA -0.262 4.078 4.340 0.000 0.000 0.210 377 L C 2.643 179.583 176.870 0.117 0.000 1.073 377 L CA 1.730 56.572 54.840 0.003 0.000 0.748 377 L CB -0.821 41.254 42.059 0.025 0.000 0.891 377 L HN 0.341 nan 8.230 nan 0.000 0.431 378 L N -0.861 120.459 121.223 0.162 0.000 1.989 378 L HA -0.299 4.041 4.340 0.000 0.000 0.211 378 L C 2.808 179.852 176.870 0.289 0.000 1.071 378 L CA 1.575 56.589 54.840 0.289 0.000 0.749 378 L CB -0.409 41.946 42.059 0.493 0.000 0.890 378 L HN 0.313 nan 8.230 nan 0.000 0.431 379 M N -0.620 119.016 119.600 0.059 0.000 2.073 379 M HA -0.280 4.200 4.480 0.000 0.000 0.258 379 M C 2.348 178.726 176.300 0.131 0.000 1.070 379 M CA 1.877 57.130 55.300 -0.078 0.000 1.103 379 M CB -0.504 31.829 32.600 -0.445 0.000 1.321 379 M HN 0.135 nan 8.290 nan 0.000 0.405 380 K N 0.199 120.574 120.400 -0.042 0.000 2.063 380 K HA -0.212 4.108 4.320 0.000 0.000 0.208 380 K C 1.902 178.474 176.600 -0.048 0.000 1.048 380 K CA 1.594 57.749 56.287 -0.222 0.000 0.928 380 K CB -0.327 31.854 32.500 -0.532 0.000 0.713 380 K HN 0.558 nan 8.250 nan 0.000 0.442 381 Q N 0.113 120.048 119.800 0.226 0.000 2.291 381 Q HA -0.035 4.305 4.340 0.000 0.000 0.205 381 Q C 0.990 177.268 176.000 0.463 0.000 0.970 381 Q CA 0.625 56.681 55.803 0.423 0.000 0.876 381 Q CB 0.071 29.039 28.738 0.384 0.000 0.935 381 Q HN 0.286 nan 8.270 nan 0.000 0.455 382 N N 0.682 119.624 118.700 0.404 0.000 2.251 382 N HA 0.039 4.779 4.740 0.000 0.000 0.217 382 N C -0.536 175.109 175.510 0.224 0.000 1.124 382 N CA 0.072 53.362 53.050 0.399 0.000 0.843 382 N CB 0.648 39.443 38.487 0.514 0.000 1.024 382 N HN 0.176 nan 8.380 nan 0.000 0.501 383 N N -0.132 118.689 118.700 0.203 0.000 2.882 383 N HA -0.168 4.572 4.740 0.000 0.000 0.249 383 N C -0.768 174.654 175.510 -0.147 0.000 1.079 383 N CA 0.629 53.718 53.050 0.064 0.000 0.800 383 N CB -1.798 36.627 38.487 -0.104 0.000 1.124 383 N HN 0.213 nan 8.380 nan 0.000 0.557 384 F N 1.341 121.302 119.950 0.018 0.000 2.371 384 F HA 0.338 4.865 4.527 0.000 0.000 0.329 384 F C 1.833 177.619 175.800 -0.023 0.000 1.107 384 F CA -0.308 57.685 58.000 -0.011 0.000 1.137 384 F CB 0.775 39.743 39.000 -0.054 0.000 1.214 384 F HN 0.067 nan 8.300 nan 0.000 0.536 385 N N 0.419 119.238 118.700 0.198 0.000 2.118 385 N HA 0.406 5.146 4.740 0.000 0.000 0.226 385 N C -0.872 174.702 175.510 0.106 0.000 1.305 385 N CA 0.063 53.163 53.050 0.084 0.000 0.890 385 N CB 0.703 39.281 38.487 0.152 0.000 1.118 385 N HN 0.472 nan 8.380 nan 0.000 0.511 386 A N -0.349 122.597 122.820 0.211 0.000 2.606 386 A HA 0.769 5.089 4.320 0.000 0.000 0.293 386 A C -1.707 176.099 177.584 0.369 0.000 1.082 386 A CA -0.607 51.613 52.037 0.304 0.000 0.685 386 A CB 1.789 21.016 19.000 0.379 0.000 1.284 386 A HN 0.364 nan 8.150 nan 0.000 0.408 387 V N 0.963 121.118 119.914 0.402 0.000 2.971 387 V HA 0.831 4.951 4.120 0.000 0.000 0.309 387 V C -0.826 175.354 176.094 0.143 0.000 1.130 387 V CA -0.741 61.744 62.300 0.308 0.000 0.964 387 V CB 1.946 33.840 31.823 0.119 0.000 1.029 387 V HN 1.173 nan 8.190 nan 0.000 0.427 388 R N 4.714 125.129 120.500 -0.141 0.000 2.387 388 R HA 0.496 4.836 4.340 0.000 0.000 0.314 388 R C -0.762 175.372 176.300 -0.277 0.000 0.958 388 R CA -0.477 55.387 56.100 -0.395 0.000 0.846 388 R CB 1.156 30.941 30.300 -0.858 0.000 1.147 388 R HN 0.855 nan 8.270 nan 0.000 0.447 389 C N 4.342 123.519 119.300 -0.206 0.000 3.329 389 C HA 0.099 4.559 4.460 0.000 0.000 0.537 389 C C 0.516 175.210 174.990 -0.493 0.000 1.034 389 C CA -0.452 58.398 59.018 -0.280 0.000 1.086 389 C CB -2.179 25.506 27.740 -0.091 0.000 1.392 389 C HN 0.700 nan 8.230 nan 0.000 0.612 390 S N 1.473 116.760 115.700 -0.688 0.000 2.465 390 S HA 0.166 4.636 4.470 0.000 0.000 0.280 390 S C -0.123 173.614 174.600 -1.438 0.000 1.232 390 S CA 0.155 57.671 58.200 -1.141 0.000 1.066 390 S CB 0.065 62.494 63.200 -1.285 0.000 0.929 390 S HN 0.738 nan 8.310 nan 0.000 0.494 391 H N 3.491 121.936 119.070 -1.042 0.000 2.597 391 H HA 0.302 4.858 4.556 0.000 0.000 0.225 391 H C -1.178 173.998 175.328 -0.253 0.000 1.422 391 H CA -0.365 55.443 56.048 -0.401 0.000 1.335 391 H CB -0.054 29.682 29.762 -0.042 0.000 1.783 391 H HN 0.895 nan 8.280 nan 0.000 0.513 392 Y N -2.668 117.742 120.300 0.184 0.000 2.802 392 Y HA 0.378 4.928 4.550 0.000 0.000 0.361 392 Y C -3.328 172.681 175.900 0.181 0.000 1.185 392 Y CA -2.901 55.313 58.100 0.189 0.000 1.154 392 Y CB -0.063 38.513 38.460 0.194 0.000 1.398 392 Y HN -0.081 nan 8.280 nan 0.000 0.470 393 P HA 0.188 nan 4.420 nan 0.000 0.271 393 P C -0.689 176.921 177.300 0.517 0.000 1.216 393 P CA 0.130 63.499 63.100 0.449 0.000 0.776 393 P CB 0.648 32.541 31.700 0.320 0.000 0.881 394 N N 0.296 119.313 118.700 0.528 0.000 2.478 394 N HA 0.104 4.844 4.740 0.000 0.000 0.275 394 N C 0.045 175.816 175.510 0.434 0.000 1.221 394 N CA -0.609 52.658 53.050 0.362 0.000 0.979 394 N CB 0.416 38.885 38.487 -0.030 0.000 1.202 394 N HN 0.595 nan 8.380 nan 0.000 0.564 395 H N 1.966 121.152 119.070 0.194 0.000 3.034 395 H HA 0.007 4.563 4.556 0.000 0.000 0.324 395 H C -1.747 173.792 175.328 0.351 0.000 1.015 395 H CA -0.823 55.344 56.048 0.198 0.000 1.429 395 H CB 0.985 30.814 29.762 0.112 0.000 1.429 395 H HN 0.411 nan 8.280 nan 0.000 0.585 396 P HA -0.227 nan 4.420 nan 0.000 0.217 396 P C 1.846 179.488 177.300 0.570 0.000 1.151 396 P CA 0.846 64.189 63.100 0.405 0.000 0.849 396 P CB 0.166 31.897 31.700 0.052 0.000 0.787 397 L N -1.222 120.425 121.223 0.707 0.000 2.131 397 L HA -0.080 4.260 4.340 0.000 0.000 0.210 397 L C 2.317 179.427 176.870 0.400 0.000 1.092 397 L CA 1.476 56.622 54.840 0.509 0.000 0.759 397 L CB -1.418 40.929 42.059 0.480 0.000 0.903 397 L HN 0.060 nan 8.230 nan 0.000 0.435 398 W N -0.261 121.138 121.300 0.166 0.000 2.302 398 W HA -0.396 4.264 4.660 0.000 0.000 0.320 398 W C 2.210 178.637 176.519 -0.153 0.000 1.241 398 W CA 2.207 59.499 57.345 -0.089 0.000 1.264 398 W CB -0.490 28.784 29.460 -0.309 0.000 1.154 398 W HN 0.283 nan 8.180 nan 0.000 0.483 399 Y N 0.633 120.891 120.300 -0.071 0.000 2.207 399 Y HA -0.243 4.307 4.550 0.000 0.000 0.287 399 Y C 2.848 178.531 175.900 -0.362 0.000 1.156 399 Y CA 2.140 59.963 58.100 -0.462 0.000 1.182 399 Y CB -1.427 36.463 38.460 -0.950 0.000 0.979 399 Y HN -0.172 nan 8.280 nan 0.000 0.521 400 T N 0.581 115.174 114.554 0.064 0.000 2.777 400 T HA -0.134 4.216 4.350 0.000 0.000 0.266 400 T C 2.047 176.786 174.700 0.065 0.000 1.040 400 T CA 1.272 63.464 62.100 0.153 0.000 1.141 400 T CB -0.548 68.459 68.868 0.232 0.000 0.868 400 T HN 0.223 nan 8.240 nan 0.000 0.444 401 L N 0.507 121.745 121.223 0.024 0.000 2.012 401 L HA -0.160 4.180 4.340 0.000 0.000 0.210 401 L C 2.906 179.779 176.870 0.006 0.000 1.073 401 L CA 1.137 56.014 54.840 0.063 0.000 0.748 401 L CB -0.801 41.258 42.059 0.001 0.000 0.891 401 L HN 0.387 nan 8.230 nan 0.000 0.431 402 C N -0.362 118.767 119.300 -0.285 0.000 2.425 402 C HA -0.154 4.306 4.460 0.000 0.000 0.277 402 C C 2.426 177.436 174.990 0.033 0.000 1.280 402 C CA 0.390 59.257 59.018 -0.252 0.000 1.744 402 C CB -0.867 26.596 27.740 -0.462 0.000 1.989 402 C HN 0.543 nan 8.230 nan 0.000 0.491 403 D N 0.493 120.913 120.400 0.033 0.000 2.117 403 D HA -0.099 4.541 4.640 0.000 0.000 0.197 403 D C 2.409 178.873 176.300 0.275 0.000 0.987 403 D CA 1.160 55.243 54.000 0.138 0.000 0.829 403 D CB -0.339 40.511 40.800 0.084 0.000 0.961 403 D HN 0.575 nan 8.370 nan 0.000 0.460 404 R N -0.750 119.818 120.500 0.114 0.000 2.075 404 R HA -0.022 4.318 4.340 0.000 0.000 0.226 404 R C 2.267 178.496 176.300 -0.118 0.000 1.114 404 R CA 0.592 56.688 56.100 -0.008 0.000 0.972 404 R CB -0.366 29.848 30.300 -0.144 0.000 0.869 404 R HN 0.305 nan 8.270 nan 0.000 0.437 405 Y N 0.411 120.726 120.300 0.025 0.000 2.337 405 Y HA 0.093 4.643 4.550 0.000 0.000 0.293 405 Y C 1.078 176.908 175.900 -0.116 0.000 1.123 405 Y CA 0.920 59.003 58.100 -0.028 0.000 1.201 405 Y CB 0.472 38.884 38.460 -0.079 0.000 1.011 405 Y HN 0.309 nan 8.280 nan 0.000 0.545 406 G N 1.110 109.938 108.800 0.047 0.000 2.858 406 G HA2 -0.133 3.827 3.960 0.000 0.000 0.272 406 G HA3 -0.133 3.827 3.960 0.000 0.000 0.272 406 G C -1.172 173.559 174.900 -0.281 0.000 1.003 406 G CA -0.592 44.398 45.100 -0.185 0.000 1.241 406 G HN 0.147 nan 8.290 nan 0.000 0.569 407 L N 1.034 122.162 121.223 -0.157 0.000 2.464 407 L HA 0.464 4.804 4.340 0.000 0.000 0.266 407 L C 0.008 176.834 176.870 -0.073 0.000 0.965 407 L CA -1.265 53.433 54.840 -0.237 0.000 0.833 407 L CB 1.995 43.941 42.059 -0.188 0.000 1.296 407 L HN 0.457 nan 8.230 nan 0.000 0.405 408 Y N 2.080 122.476 120.300 0.159 0.000 2.411 408 Y HA 0.373 4.923 4.550 0.000 0.000 0.333 408 Y C 0.275 176.265 175.900 0.150 0.000 1.186 408 Y CA -0.586 57.636 58.100 0.202 0.000 1.381 408 Y CB 1.137 39.706 38.460 0.182 0.000 1.273 408 Y HN 0.155 nan 8.280 nan 0.000 0.546 409 V N 3.627 123.701 119.914 0.268 0.000 2.735 409 V HA 0.373 4.493 4.120 0.000 0.000 0.310 409 V C -0.712 175.440 176.094 0.096 0.000 1.061 409 V CA -1.052 61.343 62.300 0.157 0.000 0.913 409 V CB 2.023 33.895 31.823 0.082 0.000 1.005 409 V HN 0.455 nan 8.190 nan 0.000 0.428 410 V N 2.598 122.548 119.914 0.060 0.000 2.328 410 V HA 0.358 4.478 4.120 0.000 0.000 0.278 410 V C -0.386 175.734 176.094 0.044 0.000 1.021 410 V CA -0.409 61.889 62.300 -0.004 0.000 0.838 410 V CB 1.425 33.172 31.823 -0.126 0.000 0.999 410 V HN 0.878 nan 8.190 nan 0.000 0.447 411 D N 4.021 124.478 120.400 0.095 0.000 2.264 411 D HA 0.315 4.955 4.640 0.000 0.000 0.250 411 D C -0.216 176.256 176.300 0.286 0.000 1.113 411 D CA 0.037 54.189 54.000 0.253 0.000 0.871 411 D CB 1.293 42.290 40.800 0.329 0.000 1.167 411 D HN 0.710 nan 8.370 nan 0.000 0.447 412 E N 1.713 122.058 120.200 0.242 0.000 2.234 412 E HA 0.616 4.966 4.350 0.000 0.000 0.266 412 E C -1.131 175.608 176.600 0.231 0.000 0.877 412 E CA -1.074 55.456 56.400 0.218 0.000 0.758 412 E CB 1.417 31.197 29.700 0.132 0.000 1.170 412 E HN 0.451 nan 8.360 nan 0.000 0.415 413 A N 3.648 126.600 122.820 0.220 0.000 2.445 413 A HA 0.078 4.398 4.320 0.000 0.000 0.242 413 A C 0.337 178.048 177.584 0.211 0.000 1.075 413 A CA -0.274 51.875 52.037 0.188 0.000 0.777 413 A CB 0.173 19.251 19.000 0.130 0.000 1.013 413 A HN 0.685 nan 8.150 nan 0.000 0.493 414 N N 1.470 120.304 118.700 0.223 0.000 2.892 414 N HA 0.193 4.933 4.740 0.000 0.000 0.300 414 N C -0.921 174.718 175.510 0.214 0.000 1.211 414 N CA 0.279 53.491 53.050 0.269 0.000 1.158 414 N CB -0.900 37.754 38.487 0.278 0.000 1.455 414 N HN 0.469 nan 8.380 nan 0.000 0.524 415 I N 0.674 121.363 120.570 0.199 0.000 2.534 415 I HA 0.270 4.441 4.170 0.000 0.000 0.286 415 I C -0.620 175.590 176.117 0.156 0.000 1.094 415 I CA -0.688 60.710 61.300 0.163 0.000 1.055 415 I CB 1.972 40.043 38.000 0.119 0.000 1.225 415 I HN 0.215 nan 8.210 nan 0.000 0.435 416 E N 4.189 124.479 120.200 0.149 0.000 2.278 416 E HA 0.414 4.764 4.350 0.000 0.000 0.272 416 E C -0.528 176.144 176.600 0.120 0.000 0.890 416 E CA -0.439 56.024 56.400 0.104 0.000 0.770 416 E CB 1.863 31.600 29.700 0.062 0.000 1.212 416 E HN 0.671 nan 8.360 nan 0.000 0.415 417 T N 0.535 115.152 114.554 0.105 0.000 3.380 417 T HA 0.138 4.488 4.350 0.000 0.000 0.289 417 T C 0.972 175.736 174.700 0.106 0.000 1.012 417 T CA -0.285 61.903 62.100 0.147 0.000 0.944 417 T CB -0.329 68.595 68.868 0.093 0.000 1.172 417 T HN 0.679 nan 8.240 nan 0.000 0.502 418 H N 1.188 120.188 119.070 -0.116 0.000 2.362 418 H HA -0.133 4.423 4.556 0.000 0.000 0.294 418 H C 2.265 177.469 175.328 -0.205 0.000 1.113 418 H CA 1.440 57.385 56.048 -0.171 0.000 1.253 418 H CB -0.234 29.400 29.762 -0.215 0.000 1.363 418 H HN 0.576 nan 8.280 nan 0.000 0.494 419 G N 0.229 108.866 108.800 -0.270 0.000 2.650 419 G HA2 -0.042 3.918 3.960 0.000 0.000 0.214 419 G HA3 -0.042 3.918 3.960 0.000 0.000 0.214 419 G C 0.645 175.625 174.900 0.135 0.000 1.136 419 G CA -0.141 44.819 45.100 -0.232 0.000 0.789 419 G HN 0.148 nan 8.290 nan 0.000 0.536 420 M N 0.150 119.881 119.600 0.219 0.000 2.131 420 M HA 0.314 4.794 4.480 0.000 0.000 0.283 420 M C -0.314 176.021 176.300 0.058 0.000 1.225 420 M CA 0.145 55.537 55.300 0.154 0.000 1.153 420 M CB 1.081 33.727 32.600 0.077 0.000 1.380 420 M HN -0.161 nan 8.290 nan 0.000 0.458 421 V N 2.153 122.080 119.914 0.021 0.000 2.653 421 V HA 0.296 4.416 4.120 0.000 0.000 0.298 421 V C -2.113 173.973 176.094 -0.014 0.000 1.097 421 V CA -1.310 60.990 62.300 0.000 0.000 0.908 421 V CB 1.935 33.756 31.823 -0.004 0.000 1.024 421 V HN 0.748 nan 8.190 nan 0.000 0.435 422 P HA 0.214 nan 4.420 nan 0.000 0.273 422 P C 1.135 178.435 177.300 0.001 0.000 1.250 422 P CA -0.456 62.639 63.100 -0.007 0.000 0.793 422 P CB 0.858 32.555 31.700 -0.004 0.000 1.011 423 M N 0.884 120.492 119.600 0.012 0.000 2.255 423 M HA -0.233 4.247 4.480 0.000 0.000 0.259 423 M C 1.089 177.407 176.300 0.029 0.000 1.071 423 M CA 2.163 57.480 55.300 0.029 0.000 1.074 423 M CB -0.420 32.195 32.600 0.025 0.000 1.384 423 M HN 0.399 nan 8.290 nan 0.000 0.415 424 N N -0.262 118.452 118.700 0.023 0.000 2.251 424 N HA -0.040 4.700 4.740 0.000 0.000 0.217 424 N C 1.054 176.530 175.510 -0.057 0.000 1.124 424 N CA 0.074 53.132 53.050 0.013 0.000 0.843 424 N CB -0.593 37.924 38.487 0.050 0.000 1.024 424 N HN 0.349 nan 8.380 nan 0.000 0.501 425 R N 0.617 121.072 120.500 -0.074 0.000 2.134 425 R HA -0.090 4.250 4.340 0.000 0.000 0.248 425 R C 1.548 177.727 176.300 -0.201 0.000 1.143 425 R CA 1.888 57.919 56.100 -0.115 0.000 0.957 425 R CB -0.160 30.070 30.300 -0.117 0.000 0.867 425 R HN 0.327 nan 8.270 nan 0.000 0.441 426 L N -0.992 120.045 121.223 -0.311 0.000 2.168 426 L HA 0.004 4.344 4.340 0.000 0.000 0.203 426 L C 2.476 179.164 176.870 -0.304 0.000 1.078 426 L CA 1.283 55.809 54.840 -0.523 0.000 0.780 426 L CB -0.770 40.698 42.059 -0.985 0.000 0.939 426 L HN 0.366 nan 8.230 nan 0.000 0.451 427 T N -3.659 110.754 114.554 -0.234 0.000 2.897 427 T HA -0.209 4.141 4.350 0.000 0.000 0.271 427 T C 1.242 175.820 174.700 -0.204 0.000 1.084 427 T CA 1.441 63.383 62.100 -0.263 0.000 1.123 427 T CB -0.352 68.327 68.868 -0.315 0.000 0.865 427 T HN 0.133 nan 8.240 nan 0.000 0.496 428 D N 1.306 121.628 120.400 -0.131 0.000 2.342 428 D HA 0.138 4.778 4.640 0.000 0.000 0.221 428 D C -0.492 175.777 176.300 -0.051 0.000 1.101 428 D CA -0.224 53.720 54.000 -0.094 0.000 0.837 428 D CB -0.031 40.725 40.800 -0.073 0.000 0.938 428 D HN 0.342 nan 8.370 nan 0.000 0.508 429 D N -0.593 119.792 120.400 -0.026 0.000 2.481 429 D HA 0.187 4.827 4.640 0.000 0.000 0.246 429 D C -1.828 174.537 176.300 0.109 0.000 1.109 429 D CA -2.320 51.715 54.000 0.057 0.000 0.845 429 D CB 2.235 43.107 40.800 0.120 0.000 1.160 429 D HN -0.149 nan 8.370 nan 0.000 0.534 430 P HA -0.186 nan 4.420 nan 0.000 0.216 430 P C 1.105 178.414 177.300 0.016 0.000 1.154 430 P CA 1.249 64.361 63.100 0.021 0.000 0.865 430 P CB 0.170 31.871 31.700 0.001 0.000 0.789 431 R N -1.803 118.712 120.500 0.025 0.000 2.211 431 R HA -0.143 4.197 4.340 0.000 0.000 0.240 431 R C 1.770 177.926 176.300 -0.240 0.000 1.144 431 R CA 1.456 57.490 56.100 -0.110 0.000 0.992 431 R CB -0.830 29.377 30.300 -0.155 0.000 0.869 431 R HN 0.365 nan 8.270 nan 0.000 0.462 432 W N -0.043 121.198 121.300 -0.098 0.000 3.278 432 W HA 0.146 4.806 4.660 0.000 0.000 0.308 432 W C 1.585 178.042 176.519 -0.103 0.000 1.253 432 W CA -0.602 56.684 57.345 -0.099 0.000 1.759 432 W CB -0.032 29.364 29.460 -0.105 0.000 1.093 432 W HN -0.002 nan 8.180 nan 0.000 0.648 433 L N 2.380 123.650 121.223 0.078 0.000 2.042 433 L HA -0.077 4.263 4.340 0.000 0.000 0.210 433 L C -0.749 176.093 176.870 -0.047 0.000 1.076 433 L CA 2.306 57.145 54.840 -0.002 0.000 0.749 433 L CB -1.690 40.354 42.059 -0.025 0.000 0.893 433 L HN -0.231 nan 8.230 nan 0.000 0.432 434 P HA -0.105 nan 4.420 nan 0.000 0.215 434 P C 1.664 178.916 177.300 -0.080 0.000 1.157 434 P CA 2.075 65.120 63.100 -0.092 0.000 0.863 434 P CB -0.252 31.385 31.700 -0.105 0.000 0.787 435 A N -0.341 122.446 122.820 -0.055 0.000 1.873 435 A HA -0.240 4.080 4.320 0.000 0.000 0.218 435 A C 2.297 179.891 177.584 0.017 0.000 1.193 435 A CA 2.312 54.348 52.037 -0.002 0.000 0.629 435 A CB -1.642 17.405 19.000 0.078 0.000 0.826 435 A HN 0.075 nan 8.150 nan 0.000 0.447 436 M N -0.172 119.450 119.600 0.036 0.000 2.108 436 M HA -0.184 4.296 4.480 0.000 0.000 0.261 436 M C 2.601 178.851 176.300 -0.084 0.000 1.066 436 M CA 1.918 57.213 55.300 -0.009 0.000 1.107 436 M CB -0.564 32.010 32.600 -0.043 0.000 1.356 436 M HN 0.689 nan 8.290 nan 0.000 0.406 437 S N 0.531 116.157 115.700 -0.124 0.000 2.365 437 S HA -0.221 4.249 4.470 0.000 0.000 0.225 437 S C 1.696 176.139 174.600 -0.262 0.000 1.039 437 S CA 1.714 59.778 58.200 -0.227 0.000 1.033 437 S CB -0.416 62.642 63.200 -0.237 0.000 0.887 437 S HN 0.488 nan 8.310 nan 0.000 0.447 438 E N 0.651 120.745 120.200 -0.176 0.000 2.110 438 E HA -0.137 4.213 4.350 0.000 0.000 0.193 438 E C 2.454 178.975 176.600 -0.131 0.000 0.988 438 E CA 1.014 57.320 56.400 -0.157 0.000 0.804 438 E CB -0.225 29.418 29.700 -0.096 0.000 0.745 438 E HN 0.583 nan 8.360 nan 0.000 0.458 439 R N 0.172 120.622 120.500 -0.083 0.000 2.120 439 R HA -0.106 4.234 4.340 0.000 0.000 0.234 439 R C 2.349 178.609 176.300 -0.067 0.000 1.123 439 R CA 0.920 56.999 56.100 -0.036 0.000 0.975 439 R CB -0.016 30.297 30.300 0.022 0.000 0.866 439 R HN 0.019 nan 8.270 nan 0.000 0.446 440 V N -0.001 119.826 119.914 -0.145 0.000 2.426 440 V HA -0.174 3.946 4.120 0.000 0.000 0.242 440 V C 2.356 178.297 176.094 -0.255 0.000 1.036 440 V CA 2.008 64.209 62.300 -0.165 0.000 1.044 440 V CB -0.392 31.318 31.823 -0.188 0.000 0.688 440 V HN 0.513 nan 8.190 nan 0.000 0.462 441 T N -0.218 114.065 114.554 -0.451 0.000 2.665 441 T HA -0.309 4.041 4.350 0.000 0.000 0.268 441 T C 1.946 176.517 174.700 -0.215 0.000 1.035 441 T CA 1.769 63.543 62.100 -0.544 0.000 1.151 441 T CB -0.485 67.954 68.868 -0.714 0.000 0.862 441 T HN 0.402 nan 8.240 nan 0.000 0.438 442 R N 0.463 120.853 120.500 -0.184 0.000 2.081 442 R HA 0.074 4.414 4.340 0.000 0.000 0.235 442 R C 2.718 178.955 176.300 -0.106 0.000 1.131 442 R CA 1.636 57.662 56.100 -0.124 0.000 0.960 442 R CB -0.544 29.691 30.300 -0.108 0.000 0.856 442 R HN 0.488 nan 8.270 nan 0.000 0.436 443 M N 0.813 120.360 119.600 -0.090 0.000 2.080 443 M HA -0.183 4.297 4.480 0.000 0.000 0.260 443 M C 2.009 178.252 176.300 -0.094 0.000 1.068 443 M CA 1.749 57.022 55.300 -0.044 0.000 1.109 443 M CB -0.034 32.579 32.600 0.022 0.000 1.342 443 M HN -0.018 nan 8.290 nan 0.000 0.405 444 V N 0.741 120.505 119.914 -0.250 0.000 2.332 444 V HA -0.316 3.804 4.120 0.000 0.000 0.248 444 V C 2.318 178.302 176.094 -0.184 0.000 1.055 444 V CA 2.185 64.210 62.300 -0.458 0.000 1.038 444 V CB -0.965 30.570 31.823 -0.480 0.000 0.651 444 V HN 0.599 nan 8.190 nan 0.000 0.450 445 Q N -0.754 118.977 119.800 -0.116 0.000 2.135 445 Q HA -0.241 4.099 4.340 0.000 0.000 0.204 445 Q C 2.513 178.439 176.000 -0.123 0.000 0.981 445 Q CA 1.786 57.536 55.803 -0.089 0.000 0.856 445 Q CB -0.161 28.547 28.738 -0.050 0.000 0.902 445 Q HN 0.540 nan 8.270 nan 0.000 0.425 446 R N 0.100 120.519 120.500 -0.134 0.000 2.075 446 R HA -0.094 4.246 4.340 0.000 0.000 0.226 446 R C 0.584 176.804 176.300 -0.133 0.000 1.114 446 R CA 1.402 57.395 56.100 -0.177 0.000 0.972 446 R CB 0.368 30.562 30.300 -0.176 0.000 0.869 446 R HN 0.147 nan 8.270 nan 0.000 0.437 447 D N -0.181 120.206 120.400 -0.022 0.000 2.369 447 D HA -0.009 4.631 4.640 0.000 0.000 0.211 447 D C 1.406 177.806 176.300 0.167 0.000 1.077 447 D CA 0.177 54.213 54.000 0.060 0.000 0.842 447 D CB 0.296 41.105 40.800 0.014 0.000 0.947 447 D HN 0.325 nan 8.370 nan 0.000 0.509 448 R N 0.809 121.420 120.500 0.185 0.000 2.303 448 R HA -0.002 4.338 4.340 0.000 0.000 0.225 448 R C 0.994 177.283 176.300 -0.019 0.000 1.114 448 R CA 1.095 57.317 56.100 0.204 0.000 1.007 448 R CB -0.420 29.967 30.300 0.144 0.000 0.861 448 R HN -0.029 nan 8.270 nan 0.000 0.471 449 N N 0.284 118.887 118.700 -0.161 0.000 2.412 449 N HA -0.033 4.707 4.740 0.000 0.000 0.184 449 N C -0.406 174.957 175.510 -0.245 0.000 1.101 449 N CA 0.254 53.163 53.050 -0.235 0.000 0.881 449 N CB 0.060 38.356 38.487 -0.317 0.000 0.969 449 N HN 0.369 nan 8.380 nan 0.000 0.459 450 H N 1.577 120.562 119.070 -0.142 0.000 2.742 450 H HA 0.096 4.652 4.556 0.000 0.000 0.302 450 H C -1.201 173.963 175.328 -0.274 0.000 1.069 450 H CA -1.204 54.741 56.048 -0.171 0.000 1.446 450 H CB 1.540 31.238 29.762 -0.108 0.000 1.462 450 H HN 0.030 nan 8.280 nan 0.000 0.499 451 P HA -0.154 nan 4.420 nan 0.000 0.218 451 P C 1.384 178.266 177.300 -0.698 0.000 1.148 451 P CA 1.169 63.925 63.100 -0.574 0.000 0.822 451 P CB 0.212 31.318 31.700 -0.991 0.000 0.784 452 S N -1.311 114.049 115.700 -0.566 0.000 2.447 452 S HA -0.013 4.457 4.470 0.000 0.000 0.233 452 S C 1.052 175.615 174.600 -0.061 0.000 1.006 452 S CA 0.170 58.212 58.200 -0.262 0.000 0.957 452 S CB -1.311 61.854 63.200 -0.058 0.000 0.773 452 S HN -0.069 nan 8.310 nan 0.000 0.507 453 V N 3.477 123.315 119.914 -0.127 0.000 2.470 453 V HA 0.262 4.383 4.120 0.000 0.000 0.276 453 V C 0.985 176.930 176.094 -0.248 0.000 1.040 453 V CA -0.079 62.113 62.300 -0.181 0.000 1.008 453 V CB 0.614 32.234 31.823 -0.337 0.000 0.990 453 V HN 0.627 nan 8.190 nan 0.000 0.477 454 I N 2.663 123.129 120.570 -0.173 0.000 4.327 454 I HA 0.526 4.696 4.170 0.000 0.000 0.331 454 I C 0.241 176.231 176.117 -0.210 0.000 1.348 454 I CA 0.337 61.543 61.300 -0.157 0.000 1.152 454 I CB 0.495 38.481 38.000 -0.023 0.000 1.151 454 I HN 0.312 nan 8.210 nan 0.000 0.410 455 I N 0.246 120.664 120.570 -0.254 0.000 2.752 455 I HA 0.369 4.539 4.170 0.000 0.000 0.295 455 I C -1.627 174.371 176.117 -0.199 0.000 1.219 455 I CA -0.433 60.760 61.300 -0.177 0.000 1.030 455 I CB 2.168 40.163 38.000 -0.009 0.000 1.259 455 I HN 0.014 nan 8.210 nan 0.000 0.423 456 W N 3.552 124.897 121.300 0.075 0.000 2.496 456 W HA 0.637 5.297 4.660 0.000 0.000 0.327 456 W C 0.311 176.893 176.519 0.105 0.000 1.086 456 W CA -0.703 56.693 57.345 0.085 0.000 1.222 456 W CB 1.724 31.229 29.460 0.074 0.000 1.304 456 W HN 0.309 nan 8.180 nan 0.000 0.547 457 S N 2.899 118.828 115.700 0.383 0.000 2.532 457 S HA 0.390 4.860 4.470 0.000 0.000 0.299 457 S C 0.252 175.022 174.600 0.283 0.000 1.105 457 S CA -0.710 57.665 58.200 0.291 0.000 1.018 457 S CB 0.815 64.139 63.200 0.208 0.000 1.021 457 S HN 0.595 nan 8.310 nan 0.000 0.483 458 L N 4.099 125.487 121.223 0.275 0.000 2.610 458 L HA 0.316 4.656 4.340 0.000 0.000 0.232 458 L C 1.425 178.390 176.870 0.158 0.000 1.149 458 L CA 0.579 55.518 54.840 0.165 0.000 0.872 458 L CB -1.218 40.845 42.059 0.006 0.000 0.992 458 L HN 0.999 nan 8.230 nan 0.000 0.447 459 G N -0.006 108.958 108.800 0.274 0.000 2.250 459 G HA2 -0.099 3.861 3.960 0.000 0.000 0.252 459 G HA3 -0.099 3.861 3.960 0.000 0.000 0.252 459 G C -1.661 173.431 174.900 0.320 0.000 1.325 459 G CA -0.528 44.729 45.100 0.262 0.000 1.091 459 G HN 0.182 nan 8.290 nan 0.000 0.476 460 N N 0.186 119.026 118.700 0.234 0.000 2.504 460 N HA 0.438 5.178 4.740 0.000 0.000 0.268 460 N C -0.532 174.943 175.510 -0.059 0.000 1.184 460 N CA 0.148 53.194 53.050 -0.007 0.000 0.875 460 N CB 1.398 39.621 38.487 -0.441 0.000 1.630 460 N HN 0.947 nan 8.380 nan 0.000 0.486 461 E N 0.719 120.790 120.200 -0.216 0.000 2.131 461 E HA -0.198 4.152 4.350 0.000 0.000 0.166 461 E C -0.840 175.691 176.600 -0.115 0.000 1.514 461 E CA 0.791 56.993 56.400 -0.330 0.000 0.646 461 E CB -1.562 27.646 29.700 -0.821 0.000 1.051 461 E HN 0.417 nan 8.360 nan 0.000 0.315 462 S N 0.056 115.833 115.700 0.128 0.000 2.941 462 S HA 0.415 4.885 4.470 0.000 0.000 0.251 462 S C 0.763 175.535 174.600 0.287 0.000 1.029 462 S CA -0.177 58.148 58.200 0.208 0.000 1.062 462 S CB 1.405 64.776 63.200 0.285 0.000 0.977 462 S HN 0.903 nan 8.310 nan 0.000 0.552 463 G N 2.061 110.975 108.800 0.190 0.000 2.575 463 G HA2 -0.265 3.695 3.960 0.000 0.000 0.267 463 G HA3 -0.265 3.695 3.960 0.000 0.000 0.267 463 G C -0.500 174.620 174.900 0.366 0.000 1.264 463 G CA 0.021 45.235 45.100 0.190 0.000 0.935 463 G HN 0.648 nan 8.290 nan 0.000 0.568 464 H N 0.499 119.698 119.070 0.215 0.000 2.840 464 H HA 0.582 5.138 4.556 0.000 0.000 0.340 464 H C 0.157 175.664 175.328 0.298 0.000 1.004 464 H CA 0.090 56.291 56.048 0.257 0.000 1.288 464 H CB 0.934 30.775 29.762 0.132 0.000 1.607 464 H HN 1.218 nan 8.280 nan 0.000 0.522 465 G N 1.399 110.203 108.800 0.006 0.000 2.680 465 G HA2 0.458 4.418 3.960 0.000 0.000 0.290 465 G HA3 0.458 4.418 3.960 0.000 0.000 0.290 465 G C 0.501 175.231 174.900 -0.283 0.000 1.355 465 G CA -0.162 44.795 45.100 -0.237 0.000 0.903 465 G HN 0.656 nan 8.290 nan 0.000 0.474 466 A N 0.365 123.067 122.820 -0.197 0.000 2.032 466 A HA -0.120 4.200 4.320 0.000 0.000 0.221 466 A C 2.117 179.664 177.584 -0.061 0.000 1.165 466 A CA 2.046 54.024 52.037 -0.097 0.000 0.645 466 A CB -0.460 18.509 19.000 -0.052 0.000 0.807 466 A HN 0.549 nan 8.150 nan 0.000 0.453 467 N N -0.293 118.327 118.700 -0.133 0.000 2.205 467 N HA -0.156 4.584 4.740 0.000 0.000 0.186 467 N C 1.372 176.819 175.510 -0.106 0.000 1.015 467 N CA 1.728 54.694 53.050 -0.141 0.000 0.862 467 N CB -0.705 37.667 38.487 -0.192 0.000 0.986 467 N HN 0.801 nan 8.380 nan 0.000 0.429 468 H N 0.487 119.512 119.070 -0.076 0.000 2.321 468 H HA -0.038 4.518 4.556 0.000 0.000 0.300 468 H C 1.276 176.655 175.328 0.086 0.000 1.087 468 H CA 1.331 57.350 56.048 -0.047 0.000 1.319 468 H CB 0.129 29.855 29.762 -0.061 0.000 1.379 468 H HN 0.164 nan 8.280 nan 0.000 0.501 469 D N 0.494 121.039 120.400 0.242 0.000 2.104 469 D HA -0.158 4.482 4.640 0.000 0.000 0.194 469 D C 2.301 178.750 176.300 0.248 0.000 0.994 469 D CA 1.244 55.386 54.000 0.236 0.000 0.830 469 D CB -0.560 40.348 40.800 0.181 0.000 0.959 469 D HN 0.431 nan 8.370 nan 0.000 0.452 470 A N 0.700 123.616 122.820 0.160 0.000 1.908 470 A HA -0.136 4.184 4.320 0.000 0.000 0.218 470 A C 2.407 180.102 177.584 0.184 0.000 1.181 470 A CA 1.017 53.141 52.037 0.145 0.000 0.627 470 A CB -0.740 18.303 19.000 0.072 0.000 0.818 470 A HN 0.217 nan 8.150 nan 0.000 0.445 471 L N -2.315 119.005 121.223 0.162 0.000 2.109 471 L HA -0.131 4.209 4.340 0.000 0.000 0.207 471 L C 2.561 179.580 176.870 0.249 0.000 1.086 471 L CA 1.475 56.412 54.840 0.161 0.000 0.760 471 L CB -0.682 41.406 42.059 0.048 0.000 0.910 471 L HN 0.599 nan 8.230 nan 0.000 0.437 472 Y N 0.909 121.295 120.300 0.143 0.000 2.081 472 Y HA -0.309 4.241 4.550 0.000 0.000 0.280 472 Y C 2.899 178.881 175.900 0.137 0.000 1.163 472 Y CA 1.598 59.784 58.100 0.142 0.000 1.135 472 Y CB -0.206 38.337 38.460 0.139 0.000 0.970 472 Y HN -0.058 nan 8.280 nan 0.000 0.498 473 R N 0.054 120.682 120.500 0.213 0.000 2.083 473 R HA -0.253 4.087 4.340 0.000 0.000 0.237 473 R C 2.116 178.419 176.300 0.005 0.000 1.137 473 R CA 2.049 58.201 56.100 0.086 0.000 0.951 473 R CB -1.735 28.686 30.300 0.202 0.000 0.851 473 R HN 0.681 nan 8.270 nan 0.000 0.434 474 W N 1.243 122.504 121.300 -0.065 0.000 2.318 474 W HA -0.197 4.463 4.660 0.000 0.000 0.313 474 W C 1.964 178.392 176.519 -0.152 0.000 1.221 474 W CA 1.955 59.246 57.345 -0.090 0.000 1.266 474 W CB -0.442 28.969 29.460 -0.081 0.000 1.150 474 W HN 0.035 nan 8.180 nan 0.000 0.496 475 I N 0.649 121.205 120.570 -0.025 0.000 2.226 475 I HA -0.335 3.835 4.170 0.000 0.000 0.245 475 I C 2.405 178.288 176.117 -0.390 0.000 1.100 475 I CA 1.339 62.452 61.300 -0.311 0.000 1.374 475 I CB -0.912 36.987 38.000 -0.169 0.000 1.057 475 I HN -0.092 nan 8.210 nan 0.000 0.413 476 K N 1.104 121.303 120.400 -0.335 0.000 2.113 476 K HA -0.140 4.180 4.320 0.000 0.000 0.208 476 K C 2.222 178.671 176.600 -0.251 0.000 1.047 476 K CA 1.663 57.779 56.287 -0.285 0.000 0.928 476 K CB -0.590 31.729 32.500 -0.301 0.000 0.716 476 K HN 0.354 nan 8.250 nan 0.000 0.446 477 S N 0.404 115.914 115.700 -0.316 0.000 2.395 477 S HA -0.037 4.433 4.470 0.000 0.000 0.225 477 S C 2.231 176.606 174.600 -0.375 0.000 1.027 477 S CA 0.800 58.821 58.200 -0.298 0.000 0.965 477 S CB -0.173 62.864 63.200 -0.272 0.000 0.812 477 S HN -0.013 nan 8.310 nan 0.000 0.482 478 V N 1.380 120.930 119.914 -0.607 0.000 2.488 478 V HA 0.056 4.176 4.120 0.000 0.000 0.246 478 V C 0.382 176.239 176.094 -0.395 0.000 1.046 478 V CA 1.253 63.184 62.300 -0.616 0.000 1.053 478 V CB -0.258 30.876 31.823 -1.148 0.000 0.679 478 V HN 0.394 nan 8.190 nan 0.000 0.458 479 D N -0.882 119.323 120.400 -0.326 0.000 2.336 479 D HA 0.264 4.904 4.640 0.000 0.000 0.248 479 D C -2.237 174.044 176.300 -0.031 0.000 1.326 479 D CA -1.657 52.268 54.000 -0.125 0.000 0.973 479 D CB 1.901 42.709 40.800 0.013 0.000 1.255 479 D HN 0.071 nan 8.370 nan 0.000 0.558 480 P HA 0.003 nan 4.420 nan 0.000 0.240 480 P C 1.201 178.518 177.300 0.028 0.000 1.190 480 P CA 0.287 63.376 63.100 -0.019 0.000 0.781 480 P CB 0.287 31.967 31.700 -0.034 0.000 0.931 481 S N -0.606 115.122 115.700 0.047 0.000 2.481 481 S HA -0.004 4.466 4.470 0.000 0.000 0.231 481 S C 0.890 175.520 174.600 0.049 0.000 0.996 481 S CA 0.100 58.332 58.200 0.053 0.000 0.942 481 S CB -0.434 62.791 63.200 0.043 0.000 0.768 481 S HN 0.088 nan 8.310 nan 0.000 0.520 482 R N 0.827 121.376 120.500 0.082 0.000 2.725 482 R HA 0.599 4.939 4.340 0.000 0.000 0.277 482 R C -3.209 173.156 176.300 0.109 0.000 0.987 482 R CA -2.323 53.799 56.100 0.035 0.000 0.901 482 R CB 1.438 31.650 30.300 -0.145 0.000 1.207 482 R HN 0.142 nan 8.270 nan 0.000 0.463 483 P HA 0.218 nan 4.420 nan 0.000 0.276 483 P C -0.820 176.582 177.300 0.170 0.000 1.244 483 P CA -0.525 62.638 63.100 0.105 0.000 0.801 483 P CB 0.865 32.610 31.700 0.075 0.000 1.006 484 V N 2.139 122.177 119.914 0.207 0.000 2.555 484 V HA 0.450 4.571 4.120 0.000 0.000 0.302 484 V C 0.170 176.442 176.094 0.297 0.000 1.038 484 V CA -0.388 62.082 62.300 0.282 0.000 0.887 484 V CB 1.373 33.347 31.823 0.252 0.000 0.991 484 V HN 0.652 nan 8.190 nan 0.000 0.434 485 Q N 3.436 123.396 119.800 0.268 0.000 2.451 485 Q HA 0.820 5.160 4.340 0.000 0.000 0.281 485 Q C -1.797 174.365 176.000 0.271 0.000 1.099 485 Q CA -0.980 54.952 55.803 0.215 0.000 0.806 485 Q CB 2.955 31.765 28.738 0.121 0.000 1.419 485 Q HN 0.652 nan 8.270 nan 0.000 0.427 486 Y N 0.125 120.444 120.300 0.032 0.000 2.357 486 Y HA 0.145 4.695 4.550 0.000 0.000 0.319 486 Y C -0.446 175.407 175.900 -0.080 0.000 1.225 486 Y CA -0.634 57.454 58.100 -0.021 0.000 1.095 486 Y CB 2.016 40.458 38.460 -0.030 0.000 1.302 486 Y HN 0.958 nan 8.280 nan 0.000 0.429 487 E N 3.553 123.280 120.200 -0.789 0.000 2.250 487 E HA 0.113 4.463 4.350 0.000 0.000 0.192 487 E C 0.748 176.917 176.600 -0.718 0.000 0.986 487 E CA 0.798 56.837 56.400 -0.602 0.000 0.849 487 E CB 0.188 29.649 29.700 -0.397 0.000 0.797 487 E HN 0.900 nan 8.360 nan 0.000 0.482 488 G N 0.003 107.975 108.800 -1.380 0.000 2.464 488 G HA2 0.173 4.133 3.960 0.000 0.000 0.231 488 G HA3 0.173 4.133 3.960 0.000 0.000 0.231 488 G C 0.790 175.552 174.900 -0.229 0.000 1.267 488 G CA 0.371 45.061 45.100 -0.684 0.000 0.863 488 G HN 0.383 nan 8.290 nan 0.000 0.559 489 G N -0.360 108.404 108.800 -0.060 0.000 2.221 489 G HA2 0.233 4.193 3.960 0.000 0.000 0.265 489 G HA3 0.233 4.193 3.960 0.000 0.000 0.265 489 G C 1.291 176.189 174.900 -0.004 0.000 1.041 489 G CA 1.003 46.122 45.100 0.033 0.000 0.807 489 G HN 2.636 nan 8.290 nan 0.000 0.502 490 G N -1.665 107.130 108.800 -0.010 0.000 2.229 490 G HA2 0.410 4.370 3.960 0.000 0.000 0.189 490 G HA3 0.410 4.370 3.960 0.000 0.000 0.189 490 G C 1.103 176.101 174.900 0.164 0.000 1.000 490 G CA 1.307 46.457 45.100 0.082 0.000 0.663 490 G HN 2.356 nan 8.290 nan 0.000 0.493 491 A N -0.221 122.592 122.820 -0.013 0.000 3.413 491 A HA -0.108 4.212 4.320 0.000 0.000 0.268 491 A C 1.104 178.649 177.584 -0.065 0.000 1.128 491 A CA 2.657 54.640 52.037 -0.091 0.000 1.062 491 A CB -1.805 17.107 19.000 -0.148 0.000 1.121 491 A HN 2.108 nan 8.150 nan 0.000 0.895 492 D N -1.159 119.269 120.400 0.047 0.000 2.636 492 D HA 0.294 4.934 4.640 0.000 0.000 0.270 492 D C 0.462 176.757 176.300 -0.008 0.000 1.430 492 D CA 0.826 54.864 54.000 0.063 0.000 0.796 492 D CB -1.159 39.820 40.800 0.298 0.000 1.117 492 D HN 0.840 nan 8.370 nan 0.000 0.480 493 T N -2.657 111.827 114.554 -0.118 0.000 2.698 493 T HA 0.128 4.478 4.350 0.000 0.000 0.295 493 T C 1.624 176.197 174.700 -0.212 0.000 1.007 493 T CA 0.565 62.524 62.100 -0.236 0.000 0.980 493 T CB 1.090 69.606 68.868 -0.586 0.000 1.036 493 T HN 0.056 nan 8.240 nan 0.000 0.526 494 T N -1.574 112.840 114.554 -0.233 0.000 3.007 494 T HA 0.039 4.389 4.350 0.000 0.000 0.270 494 T C 1.715 176.149 174.700 -0.443 0.000 1.107 494 T CA 0.878 62.849 62.100 -0.215 0.000 1.118 494 T CB -0.893 67.919 68.868 -0.093 0.000 0.889 494 T HN 0.844 nan 8.240 nan 0.000 0.506 495 A N 0.112 122.703 122.820 -0.381 0.000 2.337 495 A HA 0.451 4.771 4.320 0.000 0.000 0.227 495 A C 1.011 178.406 177.584 -0.315 0.000 1.259 495 A CA 0.117 51.874 52.037 -0.467 0.000 0.870 495 A CB -0.222 18.774 19.000 -0.006 0.000 0.927 495 A HN 0.504 nan 8.150 nan 0.000 0.497 496 T N -1.691 112.719 114.554 -0.241 0.000 2.912 496 T HA 0.390 4.740 4.350 0.000 0.000 0.299 496 T C -0.544 174.186 174.700 0.050 0.000 1.052 496 T CA -0.469 61.638 62.100 0.011 0.000 0.996 496 T CB 1.350 70.225 68.868 0.011 0.000 1.070 496 T HN 0.071 nan 8.240 nan 0.000 0.465 497 D N 2.537 123.044 120.400 0.179 0.000 2.348 497 D HA 0.305 4.945 4.640 0.000 0.000 0.211 497 D C 0.277 176.614 176.300 0.062 0.000 0.998 497 D CA 0.672 54.761 54.000 0.150 0.000 0.873 497 D CB 0.396 41.312 40.800 0.193 0.000 0.925 497 D HN 0.525 nan 8.370 nan 0.000 0.524 498 I N 0.603 121.191 120.570 0.030 0.000 2.686 498 I HA 0.262 4.432 4.170 0.000 0.000 0.295 498 I C -0.380 175.682 176.117 -0.091 0.000 1.114 498 I CA -0.947 60.336 61.300 -0.029 0.000 1.038 498 I CB 2.976 40.966 38.000 -0.016 0.000 1.238 498 I HN -0.358 nan 8.210 nan 0.000 0.420 499 I N 5.158 125.630 120.570 -0.163 0.000 2.436 499 I HA 0.097 4.267 4.170 0.000 0.000 0.289 499 I C -0.001 175.925 176.117 -0.319 0.000 1.083 499 I CA -0.055 61.064 61.300 -0.302 0.000 1.372 499 I CB 0.165 37.890 38.000 -0.459 0.000 1.408 499 I HN 0.634 nan 8.210 nan 0.000 0.516 500 C N 5.493 124.620 119.300 -0.288 0.000 3.414 500 C HA 0.486 4.946 4.460 0.000 0.000 0.208 500 C C -2.224 172.627 174.990 -0.231 0.000 1.422 500 C CA -2.273 56.616 59.018 -0.215 0.000 1.437 500 C CB -0.925 26.746 27.740 -0.114 0.000 1.850 500 C HN 0.399 nan 8.230 nan 0.000 0.481 501 P HA 0.372 nan 4.420 nan 0.000 0.274 501 P C -0.464 176.761 177.300 -0.124 0.000 1.256 501 P CA 0.072 63.049 63.100 -0.206 0.000 0.795 501 P CB 0.726 32.281 31.700 -0.243 0.000 1.038 502 M N -0.160 119.395 119.600 -0.075 0.000 2.181 502 M HA 0.462 4.942 4.480 0.000 0.000 0.323 502 M C -0.943 175.332 176.300 -0.042 0.000 1.004 502 M CA -0.598 54.577 55.300 -0.210 0.000 0.941 502 M CB 1.276 33.727 32.600 -0.249 0.000 1.579 502 M HN 0.349 nan 8.290 nan 0.000 0.427 503 Y N -0.114 120.325 120.300 0.232 0.000 4.490 503 Y HA -0.214 4.336 4.550 0.000 0.000 0.233 503 Y C 0.478 176.525 175.900 0.245 0.000 1.101 503 Y CA 0.427 58.668 58.100 0.235 0.000 2.010 503 Y CB -2.256 36.313 38.460 0.181 0.000 1.622 503 Y HN 0.988 nan 8.280 nan 0.000 0.675 504 A N 1.272 124.290 122.820 0.330 0.000 2.425 504 A HA 0.580 4.900 4.320 0.000 0.000 0.249 504 A C 0.706 178.485 177.584 0.324 0.000 1.084 504 A CA -0.476 51.757 52.037 0.327 0.000 0.781 504 A CB 0.394 19.612 19.000 0.364 0.000 1.019 504 A HN 0.397 nan 8.150 nan 0.000 0.490 505 R N 1.568 122.195 120.500 0.212 0.000 2.577 505 R HA 0.300 4.640 4.340 0.000 0.000 0.269 505 R C 0.980 177.251 176.300 -0.048 0.000 1.084 505 R CA -0.732 55.429 56.100 0.101 0.000 1.163 505 R CB 0.578 30.913 30.300 0.058 0.000 1.100 505 R HN 0.479 nan 8.270 nan 0.000 0.547 506 V N 0.862 120.596 119.914 -0.300 0.000 2.261 506 V HA -0.228 3.892 4.120 0.000 0.000 0.246 506 V C 1.027 177.000 176.094 -0.201 0.000 1.047 506 V CA 1.934 64.004 62.300 -0.384 0.000 1.015 506 V CB -0.244 31.238 31.823 -0.568 0.000 0.642 506 V HN 0.780 nan 8.190 nan 0.000 0.446 507 D N -0.970 119.345 120.400 -0.141 0.000 2.474 507 D HA 0.107 4.747 4.640 0.000 0.000 0.213 507 D C 0.623 176.904 176.300 -0.032 0.000 1.120 507 D CA 0.070 54.021 54.000 -0.080 0.000 0.836 507 D CB 0.596 41.353 40.800 -0.071 0.000 1.019 507 D HN 0.690 nan 8.370 nan 0.000 0.507 508 E N 1.184 121.373 120.200 -0.019 0.000 2.191 508 E HA 0.368 4.718 4.350 0.000 0.000 0.274 508 E C -0.857 175.749 176.600 0.009 0.000 0.948 508 E CA -0.773 55.624 56.400 -0.004 0.000 0.802 508 E CB 1.619 31.313 29.700 -0.010 0.000 1.137 508 E HN -0.295 nan 8.360 nan 0.000 0.397 509 D N 2.341 122.743 120.400 0.003 0.000 2.225 509 D HA 0.149 4.789 4.640 0.000 0.000 0.249 509 D C -0.608 175.590 176.300 -0.170 0.000 1.052 509 D CA -0.218 53.773 54.000 -0.014 0.000 0.909 509 D CB 1.357 42.215 40.800 0.097 0.000 1.186 509 D HN 0.407 nan 8.370 nan 0.000 0.431 510 Q N 1.577 121.162 119.800 -0.358 0.000 2.558 510 Q HA 0.267 4.607 4.340 0.000 0.000 0.252 510 Q C -2.286 173.039 176.000 -1.125 0.000 1.015 510 Q CA -1.595 53.787 55.803 -0.702 0.000 0.720 510 Q CB 2.451 30.814 28.738 -0.625 0.000 1.215 510 Q HN 0.133 nan 8.270 nan 0.000 0.500 511 P HA 0.067 nan 4.420 nan 0.000 0.214 511 P C -0.782 176.170 177.300 -0.581 0.000 1.826 511 P CA -0.154 62.508 63.100 -0.730 0.000 0.977 511 P CB -0.544 30.933 31.700 -0.372 0.000 1.930 512 F N 2.298 122.100 119.950 -0.247 0.000 2.459 512 F HA 0.240 4.767 4.527 0.000 0.000 0.346 512 F C -1.187 174.508 175.800 -0.176 0.000 1.128 512 F CA -2.603 55.296 58.000 -0.168 0.000 1.268 512 F CB -0.448 38.471 39.000 -0.136 0.000 1.161 512 F HN 0.046 nan 8.300 nan 0.000 0.583 513 P HA 0.063 nan 4.420 nan 0.000 0.268 513 P C 0.339 177.656 177.300 0.029 0.000 1.204 513 P CA 0.914 64.033 63.100 0.031 0.000 0.768 513 P CB 1.152 32.871 31.700 0.032 0.000 0.842 514 A N 3.018 125.841 122.820 0.005 0.000 3.292 514 A HA -0.247 4.073 4.320 0.000 0.000 0.241 514 A C 0.687 178.271 177.584 -0.000 0.000 0.569 514 A CA 2.061 54.104 52.037 0.010 0.000 1.149 514 A CB -2.638 16.372 19.000 0.016 0.000 1.321 514 A HN 0.736 nan 8.150 nan 0.000 0.679 515 V N -3.722 116.192 119.914 0.001 0.000 2.703 515 V HA 0.542 4.662 4.120 0.000 0.000 0.290 515 V C -2.640 173.457 176.094 0.004 0.000 1.035 515 V CA -1.103 61.196 62.300 -0.002 0.000 1.185 515 V CB 0.824 32.660 31.823 0.022 0.000 1.178 515 V HN 0.445 nan 8.190 nan 0.000 0.562 516 P HA 0.342 nan 4.420 nan 0.000 0.272 516 P C -0.712 176.118 177.300 -0.785 0.000 1.230 516 P CA 0.092 62.811 63.100 -0.636 0.000 0.788 516 P CB 0.989 31.917 31.700 -1.287 0.000 0.949 517 K N 1.920 121.878 120.400 -0.736 0.000 2.464 517 K HA 0.234 4.554 4.320 0.000 0.000 0.252 517 K C -0.517 175.790 176.600 -0.489 0.000 1.000 517 K CA -0.263 55.785 56.287 -0.399 0.000 0.951 517 K CB 0.698 33.254 32.500 0.094 0.000 1.183 517 K HN 0.488 nan 8.250 nan 0.000 0.445 518 W N 1.584 122.624 121.300 -0.435 0.000 2.126 518 W HA 0.046 4.706 4.660 0.000 0.000 0.346 518 W C 1.346 177.892 176.519 0.045 0.000 1.279 518 W CA -0.674 56.505 57.345 -0.278 0.000 1.259 518 W CB 0.533 29.669 29.460 -0.539 0.000 1.133 518 W HN 0.441 nan 8.180 nan 0.000 0.592 519 S N 3.199 119.068 115.700 0.282 0.000 2.558 519 S HA -0.076 4.394 4.470 0.000 0.000 0.288 519 S C 1.081 175.831 174.600 0.249 0.000 1.318 519 S CA -0.211 58.093 58.200 0.172 0.000 1.056 519 S CB 0.287 63.520 63.200 0.055 0.000 0.853 519 S HN 0.555 nan 8.310 nan 0.000 0.505 520 I N 1.096 121.768 120.570 0.171 0.000 2.454 520 I HA -0.159 4.011 4.170 0.000 0.000 0.254 520 I C 1.855 177.988 176.117 0.027 0.000 1.156 520 I CA 1.109 62.508 61.300 0.166 0.000 1.433 520 I CB -0.573 37.457 38.000 0.051 0.000 1.082 520 I HN 0.663 nan 8.210 nan 0.000 0.432 521 K N 2.136 122.457 120.400 -0.132 0.000 2.097 521 K HA -0.173 4.147 4.320 0.000 0.000 0.205 521 K C 2.152 178.728 176.600 -0.039 0.000 1.050 521 K CA 1.604 57.736 56.287 -0.258 0.000 0.938 521 K CB -0.338 31.897 32.500 -0.442 0.000 0.718 521 K HN 0.440 nan 8.250 nan 0.000 0.442 522 K N 0.698 121.103 120.400 0.007 0.000 2.103 522 K HA -0.150 4.170 4.320 0.000 0.000 0.204 522 K C 1.923 178.524 176.600 0.002 0.000 1.052 522 K CA 0.678 56.951 56.287 -0.023 0.000 0.945 522 K CB -0.090 32.366 32.500 -0.073 0.000 0.722 522 K HN 0.195 nan 8.250 nan 0.000 0.443 523 W N 2.039 123.298 121.300 -0.068 0.000 2.321 523 W HA -0.207 4.453 4.660 0.000 0.000 0.306 523 W C 1.550 178.028 176.519 -0.068 0.000 1.217 523 W CA 1.293 58.608 57.345 -0.051 0.000 1.257 523 W CB -0.574 28.956 29.460 0.117 0.000 1.145 523 W HN 0.119 nan 8.180 nan 0.000 0.509 524 L N 0.852 122.217 121.223 0.237 0.000 2.127 524 L HA -0.254 4.086 4.340 0.000 0.000 0.211 524 L C 2.564 179.486 176.870 0.087 0.000 1.089 524 L CA 1.911 56.831 54.840 0.133 0.000 0.757 524 L CB -0.990 41.126 42.059 0.095 0.000 0.899 524 L HN -0.004 nan 8.230 nan 0.000 0.434 525 S N -0.956 114.772 115.700 0.047 0.000 2.558 525 S HA 0.109 4.579 4.470 0.000 0.000 0.217 525 S C 0.824 175.395 174.600 -0.048 0.000 0.975 525 S CA -0.408 57.793 58.200 0.001 0.000 0.912 525 S CB -0.463 62.733 63.200 -0.008 0.000 0.776 525 S HN 0.205 nan 8.310 nan 0.000 0.526 526 L N 2.521 123.699 121.223 -0.076 0.000 2.543 526 L HA 0.195 4.535 4.340 0.000 0.000 0.285 526 L C -2.227 174.606 176.870 -0.062 0.000 1.236 526 L CA -1.543 53.217 54.840 -0.134 0.000 0.871 526 L CB -0.418 41.526 42.059 -0.192 0.000 1.121 526 L HN 0.065 nan 8.230 nan 0.000 0.501 527 P HA -0.010 nan 4.420 nan 0.000 0.260 527 P C 0.841 178.130 177.300 -0.019 0.000 1.185 527 P CA 0.930 64.004 63.100 -0.043 0.000 0.763 527 P CB 0.626 32.296 31.700 -0.051 0.000 0.776 528 G N 2.068 110.864 108.800 -0.006 0.000 2.225 528 G HA2 -0.266 3.694 3.960 0.000 0.000 0.254 528 G HA3 -0.266 3.694 3.960 0.000 0.000 0.254 528 G C 0.242 175.155 174.900 0.022 0.000 0.988 528 G CA 0.074 45.178 45.100 0.008 0.000 0.625 528 G HN 0.626 nan 8.290 nan 0.000 0.527 529 E N 1.243 121.461 120.200 0.030 0.000 2.344 529 E HA 0.556 4.906 4.350 0.000 0.000 0.270 529 E C 1.420 178.043 176.600 0.038 0.000 1.021 529 E CA 0.833 57.265 56.400 0.053 0.000 0.887 529 E CB 0.768 30.529 29.700 0.101 0.000 0.997 529 E HN 0.577 nan 8.360 nan 0.000 0.429 530 T N 0.750 115.324 114.554 0.033 0.000 3.009 530 T HA 0.312 4.662 4.350 0.000 0.000 0.267 530 T C 0.625 175.333 174.700 0.014 0.000 0.942 530 T CA -0.429 61.684 62.100 0.022 0.000 0.883 530 T CB 0.091 68.972 68.868 0.020 0.000 1.192 530 T HN 0.265 nan 8.240 nan 0.000 0.524 531 R N 2.270 122.776 120.500 0.009 0.000 2.707 531 R HA 0.436 4.776 4.340 0.000 0.000 0.270 531 R C -2.523 173.759 176.300 -0.031 0.000 1.083 531 R CA -1.591 54.503 56.100 -0.009 0.000 1.182 531 R CB 0.000 30.289 30.300 -0.018 0.000 1.084 531 R HN 0.254 nan 8.270 nan 0.000 0.528 532 P HA 0.167 nan 4.420 nan 0.000 0.278 532 P C -1.152 176.080 177.300 -0.115 0.000 1.258 532 P CA -0.279 62.780 63.100 -0.069 0.000 0.811 532 P CB 0.736 32.395 31.700 -0.068 0.000 1.063 533 L N 1.976 123.110 121.223 -0.148 0.000 2.381 533 L HA 0.611 4.951 4.340 0.000 0.000 0.274 533 L C -1.236 175.496 176.870 -0.231 0.000 0.988 533 L CA -0.685 54.029 54.840 -0.210 0.000 0.824 533 L CB 0.855 42.773 42.059 -0.234 0.000 1.263 533 L HN 0.228 nan 8.230 nan 0.000 0.410 534 I N 5.333 125.770 120.570 -0.222 0.000 2.512 534 I HA 0.280 4.450 4.170 0.000 0.000 0.287 534 I C -0.907 175.110 176.117 -0.167 0.000 1.069 534 I CA -0.539 60.620 61.300 -0.235 0.000 1.056 534 I CB 2.097 40.005 38.000 -0.153 0.000 1.229 534 I HN 0.463 nan 8.210 nan 0.000 0.429 535 L N 5.561 126.657 121.223 -0.211 0.000 2.367 535 L HA 0.117 4.457 4.340 0.000 0.000 0.275 535 L C 1.382 178.316 176.870 0.105 0.000 1.129 535 L CA -0.214 54.565 54.840 -0.100 0.000 0.839 535 L CB 0.765 42.745 42.059 -0.132 0.000 1.133 535 L HN 0.862 nan 8.230 nan 0.000 0.453 536 C N 0.020 119.363 119.300 0.070 0.000 2.464 536 C HA 0.175 4.635 4.460 0.000 0.000 0.278 536 C C 0.679 175.784 174.990 0.191 0.000 1.375 536 C CA -0.147 58.956 59.018 0.141 0.000 1.761 536 C CB -0.965 26.775 27.740 -0.000 0.000 1.944 536 C HN 0.843 nan 8.230 nan 0.000 0.509 537 E N -0.902 119.332 120.200 0.056 0.000 2.304 537 E HA 0.635 4.985 4.350 0.000 0.000 0.277 537 E C -1.272 175.245 176.600 -0.139 0.000 0.898 537 E CA -0.399 55.998 56.400 -0.005 0.000 0.764 537 E CB 2.036 31.487 29.700 -0.415 0.000 1.216 537 E HN 0.645 nan 8.360 nan 0.000 0.419 538 Y N -0.388 119.870 120.300 -0.069 0.000 2.656 538 Y HA 0.630 5.180 4.550 0.000 0.000 0.334 538 Y C -0.734 175.323 175.900 0.262 0.000 1.179 538 Y CA -0.891 57.205 58.100 -0.007 0.000 1.050 538 Y CB 0.976 39.309 38.460 -0.211 0.000 1.308 538 Y HN 0.660 nan 8.280 nan 0.000 0.456 539 A N 2.226 125.101 122.820 0.092 0.000 2.303 539 A HA -0.273 4.047 4.320 0.000 0.000 0.286 539 A C -0.247 177.454 177.584 0.194 0.000 1.429 539 A CA 1.076 53.155 52.037 0.070 0.000 0.738 539 A CB -2.498 16.421 19.000 -0.135 0.000 1.149 539 A HN 1.114 nan 8.150 nan 0.000 0.364 540 H N 0.551 119.763 119.070 0.238 0.000 3.237 540 H HA 0.159 4.715 4.556 0.000 0.000 0.270 540 H C 1.266 176.637 175.328 0.071 0.000 0.900 540 H CA 0.802 56.984 56.048 0.223 0.000 1.415 540 H CB 0.386 30.155 29.762 0.012 0.000 1.484 540 H HN 0.840 nan 8.280 nan 0.000 0.540 541 A N 6.457 129.148 122.820 -0.214 0.000 2.416 541 A HA 0.030 4.351 4.320 0.000 0.000 0.252 541 A C 0.980 178.384 177.584 -0.299 0.000 1.353 541 A CA -0.343 51.549 52.037 -0.242 0.000 0.996 541 A CB -0.536 18.317 19.000 -0.246 0.000 0.961 541 A HN 0.790 nan 8.150 nan 0.000 0.523 542 M N 1.315 120.703 119.600 -0.353 0.000 2.220 542 M HA 0.425 4.905 4.480 0.000 0.000 0.343 542 M C 0.982 177.141 176.300 -0.235 0.000 1.470 542 M CA 1.241 56.369 55.300 -0.286 0.000 1.161 542 M CB -0.371 32.091 32.600 -0.229 0.000 1.737 542 M HN 0.771 nan 8.290 nan 0.000 0.464 543 G N 4.507 113.158 108.800 -0.248 0.000 2.550 543 G HA2 -0.339 3.621 3.960 0.000 0.000 0.277 543 G HA3 -0.339 3.621 3.960 0.000 0.000 0.277 543 G C -0.187 174.285 174.900 -0.715 0.000 1.190 543 G CA 0.069 44.887 45.100 -0.470 0.000 0.971 543 G HN 0.826 nan 8.290 nan 0.000 0.559 544 N N 1.499 119.604 118.700 -0.992 0.000 2.466 544 N HA 0.507 5.247 4.740 0.000 0.000 0.263 544 N C 0.022 175.283 175.510 -0.415 0.000 1.178 544 N CA 1.110 53.698 53.050 -0.770 0.000 0.983 544 N CB 0.423 38.463 38.487 -0.745 0.000 1.331 544 N HN 0.747 nan 8.380 nan 0.000 0.500 545 S N 1.701 117.236 115.700 -0.275 0.000 3.144 545 S HA 0.580 5.050 4.470 0.000 0.000 0.325 545 S C -0.110 174.414 174.600 -0.127 0.000 1.161 545 S CA -0.388 57.702 58.200 -0.184 0.000 0.920 545 S CB 0.165 63.275 63.200 -0.150 0.000 1.340 545 S HN 0.377 nan 8.310 nan 0.000 0.681 546 L N 0.207 121.383 121.223 -0.078 0.000 4.613 546 L HA -0.070 4.270 4.340 0.000 0.000 0.409 546 L C 0.452 177.350 176.870 0.046 0.000 1.100 546 L CA 0.916 55.732 54.840 -0.040 0.000 1.029 546 L CB -1.730 40.225 42.059 -0.174 0.000 2.137 546 L HN 0.694 nan 8.230 nan 0.000 0.713 547 G N -0.757 108.043 108.800 -0.000 0.000 2.343 547 G HA2 0.486 4.446 3.960 0.000 0.000 0.254 547 G HA3 0.486 4.446 3.960 0.000 0.000 0.254 547 G C 1.215 176.157 174.900 0.071 0.000 1.277 547 G CA 0.192 45.277 45.100 -0.025 0.000 0.909 547 G HN 1.382 nan 8.290 nan 0.000 0.502 548 G N 1.875 110.729 108.800 0.091 0.000 2.179 548 G HA2 -0.293 3.667 3.960 0.000 0.000 0.220 548 G HA3 -0.293 3.667 3.960 0.000 0.000 0.220 548 G C 1.025 176.127 174.900 0.336 0.000 0.990 548 G CA 0.641 45.847 45.100 0.176 0.000 0.646 548 G HN 0.736 nan 8.290 nan 0.000 0.517 549 F N 2.070 122.149 119.950 0.216 0.000 2.087 549 F HA 0.016 4.543 4.527 0.000 0.000 0.299 549 F C 2.738 178.771 175.800 0.387 0.000 1.100 549 F CA 2.850 61.047 58.000 0.328 0.000 1.226 549 F CB -0.530 38.589 39.000 0.199 0.000 0.983 549 F HN 0.382 nan 8.300 nan 0.000 0.479 550 A N -0.192 122.787 122.820 0.266 0.000 1.978 550 A HA -0.225 4.095 4.320 0.000 0.000 0.220 550 A C 2.312 179.909 177.584 0.021 0.000 1.170 550 A CA 1.717 53.838 52.037 0.141 0.000 0.636 550 A CB -0.691 18.398 19.000 0.149 0.000 0.810 550 A HN 0.421 nan 8.150 nan 0.000 0.448 551 K N -1.388 119.008 120.400 -0.006 0.000 2.044 551 K HA -0.215 4.105 4.320 0.000 0.000 0.210 551 K C 1.843 178.203 176.600 -0.401 0.000 1.049 551 K CA 2.048 58.238 56.287 -0.162 0.000 0.927 551 K CB -0.434 31.948 32.500 -0.196 0.000 0.713 551 K HN 0.666 nan 8.250 nan 0.000 0.443 552 Y N -0.521 119.489 120.300 -0.482 0.000 2.097 552 Y HA -0.278 4.272 4.550 0.000 0.000 0.282 552 Y C 2.295 177.185 175.900 -1.684 0.000 1.152 552 Y CA 1.539 58.975 58.100 -1.107 0.000 1.136 552 Y CB -0.574 37.246 38.460 -1.065 0.000 0.975 552 Y HN 0.183 nan 8.280 nan 0.000 0.498 553 W N 0.366 121.227 121.300 -0.731 0.000 2.338 553 W HA -0.253 4.407 4.660 0.000 0.000 0.304 553 W C 2.713 179.044 176.519 -0.314 0.000 1.212 553 W CA 2.041 59.089 57.345 -0.495 0.000 1.264 553 W CB -0.739 28.517 29.460 -0.339 0.000 1.142 553 W HN 0.153 nan 8.180 nan 0.000 0.512 554 Q N 0.203 119.894 119.800 -0.181 0.000 2.079 554 Q HA -0.186 4.154 4.340 0.000 0.000 0.200 554 Q C 2.275 178.197 176.000 -0.130 0.000 0.974 554 Q CA 1.930 57.673 55.803 -0.100 0.000 0.840 554 Q CB -0.397 28.299 28.738 -0.070 0.000 0.898 554 Q HN 0.228 nan 8.270 nan 0.000 0.430 555 A N 0.359 123.002 122.820 -0.294 0.000 1.902 555 A HA -0.136 4.184 4.320 0.000 0.000 0.217 555 A C 1.864 179.404 177.584 -0.074 0.000 1.181 555 A CA 1.126 53.034 52.037 -0.214 0.000 0.623 555 A CB -1.071 17.676 19.000 -0.422 0.000 0.818 555 A HN 0.535 nan 8.150 nan 0.000 0.443 556 F N -0.297 119.468 119.950 -0.308 0.000 2.120 556 F HA -0.242 4.285 4.527 0.000 0.000 0.300 556 F C 2.757 178.452 175.800 -0.175 0.000 1.095 556 F CA 1.228 59.016 58.000 -0.353 0.000 1.249 556 F CB -0.190 38.395 39.000 -0.690 0.000 0.995 556 F HN 0.157 nan 8.300 nan 0.000 0.480 557 R N 0.036 120.590 120.500 0.089 0.000 2.148 557 R HA -0.183 4.157 4.340 0.000 0.000 0.227 557 R C 2.067 178.400 176.300 0.054 0.000 1.103 557 R CA 1.284 57.422 56.100 0.064 0.000 0.983 557 R CB -0.383 29.950 30.300 0.055 0.000 0.874 557 R HN 0.429 nan 8.270 nan 0.000 0.451 558 Q N -0.418 119.443 119.800 0.103 0.000 2.376 558 Q HA -0.016 4.324 4.340 0.000 0.000 0.206 558 Q C -0.583 175.441 176.000 0.040 0.000 0.921 558 Q CA 0.534 56.382 55.803 0.074 0.000 0.911 558 Q CB 0.534 29.332 28.738 0.099 0.000 1.032 558 Q HN 0.177 nan 8.270 nan 0.000 0.510 559 Y N 0.330 120.606 120.300 -0.040 0.000 2.334 559 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 559 Y C -1.807 174.064 175.900 -0.049 0.000 0.960 559 Y CA -2.913 55.163 58.100 -0.039 0.000 1.164 559 Y CB 1.508 39.948 38.460 -0.034 0.000 1.155 559 Y HN 0.072 nan 8.280 nan 0.000 0.478 560 P HA -0.221 nan 4.420 nan 0.000 0.215 560 P C 1.264 178.564 177.300 -0.001 0.000 1.163 560 P CA 1.884 64.987 63.100 0.004 0.000 0.894 560 P CB 0.335 32.022 31.700 -0.021 0.000 0.791 561 R N -1.097 119.420 120.500 0.028 0.000 2.316 561 R HA 0.066 4.406 4.340 0.000 0.000 0.202 561 R C 0.541 176.817 176.300 -0.039 0.000 1.029 561 R CA 0.239 56.337 56.100 -0.003 0.000 1.018 561 R CB -0.553 29.756 30.300 0.015 0.000 0.888 561 R HN 0.289 nan 8.270 nan 0.000 0.471 562 L N 2.041 123.255 121.223 -0.014 0.000 2.282 562 L HA 0.131 4.471 4.340 0.000 0.000 0.287 562 L C 0.682 177.413 176.870 -0.232 0.000 1.075 562 L CA 0.107 54.893 54.840 -0.090 0.000 0.839 562 L CB 1.182 43.257 42.059 0.026 0.000 1.219 562 L HN 0.023 nan 8.230 nan 0.000 0.434 563 Q N 2.878 122.473 119.800 -0.342 0.000 2.201 563 Q HA 0.332 4.672 4.340 0.000 0.000 0.217 563 Q C 0.845 176.440 176.000 -0.675 0.000 0.860 563 Q CA 0.101 55.658 55.803 -0.409 0.000 0.984 563 Q CB 0.977 29.563 28.738 -0.254 0.000 1.095 563 Q HN 0.941 nan 8.270 nan 0.000 0.477 564 G N -0.291 107.751 108.800 -1.263 0.000 2.416 564 G HA2 0.143 4.103 3.960 0.000 0.000 0.203 564 G HA3 0.143 4.103 3.960 0.000 0.000 0.203 564 G C -0.338 173.804 174.900 -1.263 0.000 1.227 564 G CA -0.741 43.301 45.100 -1.764 0.000 1.041 564 G HN 0.583 nan 8.290 nan 0.000 0.546 565 G N -2.233 106.049 108.800 -0.863 0.000 2.342 565 G HA2 0.655 4.615 3.960 0.000 0.000 0.297 565 G HA3 0.655 4.615 3.960 0.000 0.000 0.297 565 G C -1.872 172.900 174.900 -0.213 0.000 1.313 565 G CA -0.324 44.478 45.100 -0.496 0.000 0.830 565 G HN 1.132 nan 8.290 nan 0.000 0.506 566 F N 0.489 120.665 119.950 0.376 0.000 2.449 566 F HA 0.543 5.070 4.527 0.000 0.000 0.342 566 F C 0.675 176.751 175.800 0.459 0.000 1.127 566 F CA -0.774 57.471 58.000 0.408 0.000 0.975 566 F CB 2.236 41.374 39.000 0.230 0.000 1.146 566 F HN 0.253 nan 8.300 nan 0.000 0.444 567 V N 3.171 123.378 119.914 0.490 0.000 2.811 567 V HA -0.050 4.070 4.120 0.000 0.000 0.302 567 V C -0.404 175.838 176.094 0.247 0.000 1.063 567 V CA -0.441 61.958 62.300 0.165 0.000 1.088 567 V CB 1.014 32.909 31.823 0.119 0.000 0.982 567 V HN 0.765 nan 8.190 nan 0.000 0.485 568 W N 6.473 127.831 121.300 0.097 0.000 2.336 568 W HA 0.471 5.131 4.660 0.000 0.000 0.315 568 W C -0.926 175.587 176.519 -0.010 0.000 1.016 568 W CA -0.626 56.801 57.345 0.136 0.000 1.318 568 W CB 1.378 31.052 29.460 0.357 0.000 1.247 568 W HN 0.901 nan 8.180 nan 0.000 0.414 569 D N 3.056 123.120 120.400 -0.560 0.000 2.752 569 D HA 0.071 4.711 4.640 0.000 0.000 0.313 569 D C 0.662 176.725 176.300 -0.396 0.000 1.225 569 D CA -0.530 53.021 54.000 -0.749 0.000 0.976 569 D CB 0.306 40.033 40.800 -1.788 0.000 1.443 569 D HN 0.447 nan 8.370 nan 0.000 0.515 570 W N 0.727 121.697 121.300 -0.551 0.000 2.322 570 W HA -0.006 4.654 4.660 0.000 0.000 0.326 570 W C -0.027 176.241 176.519 -0.419 0.000 1.224 570 W CA 1.510 58.587 57.345 -0.448 0.000 1.257 570 W CB 0.136 29.367 29.460 -0.383 0.000 1.174 570 W HN 0.216 nan 8.180 nan 0.000 0.460 571 V N 0.920 120.628 119.914 -0.343 0.000 2.769 571 V HA 0.273 4.393 4.120 0.000 0.000 0.312 571 V C -0.500 175.383 176.094 -0.351 0.000 1.061 571 V CA -1.174 60.852 62.300 -0.457 0.000 0.931 571 V CB 1.385 33.060 31.823 -0.248 0.000 1.010 571 V HN -0.072 nan 8.190 nan 0.000 0.433 572 D N 2.052 122.261 120.400 -0.319 0.000 2.443 572 D HA 0.103 4.743 4.640 0.000 0.000 0.239 572 D C 0.092 176.224 176.300 -0.281 0.000 1.136 572 D CA 0.366 54.226 54.000 -0.233 0.000 0.879 572 D CB 1.120 41.880 40.800 -0.066 0.000 1.195 572 D HN 0.630 nan 8.370 nan 0.000 0.443 573 Q N 0.980 120.562 119.800 -0.365 0.000 3.207 573 Q HA 0.150 4.490 4.340 0.000 0.000 0.335 573 Q C -0.368 175.626 176.000 -0.010 0.000 1.374 573 Q CA -0.325 55.089 55.803 -0.649 0.000 1.023 573 Q CB 0.189 28.611 28.738 -0.526 0.000 1.576 573 Q HN 0.359 nan 8.270 nan 0.000 0.515 574 S N -0.011 115.792 115.700 0.171 0.000 2.549 574 S HA 0.689 5.159 4.470 0.000 0.000 0.297 574 S C -0.246 174.549 174.600 0.324 0.000 1.115 574 S CA -0.834 57.574 58.200 0.347 0.000 1.059 574 S CB 1.644 65.008 63.200 0.273 0.000 1.046 574 S HN 0.312 nan 8.310 nan 0.000 0.506 575 L N 1.721 123.056 121.223 0.186 0.000 2.330 575 L HA 0.593 4.933 4.340 0.000 0.000 0.271 575 L C -0.422 176.367 176.870 -0.136 0.000 1.013 575 L CA -1.097 53.714 54.840 -0.049 0.000 0.816 575 L CB 1.431 43.332 42.059 -0.264 0.000 1.287 575 L HN 0.626 nan 8.230 nan 0.000 0.435 576 I N 1.731 122.159 120.570 -0.236 0.000 2.472 576 I HA 0.253 4.423 4.170 0.000 0.000 0.290 576 I C 0.057 175.793 176.117 -0.635 0.000 1.016 576 I CA 0.159 61.194 61.300 -0.441 0.000 1.348 576 I CB 0.888 38.648 38.000 -0.400 0.000 1.417 576 I HN 0.518 nan 8.210 nan 0.000 0.521 577 K N 4.306 124.025 120.400 -1.136 0.000 2.466 577 K HA 0.585 4.905 4.320 0.000 0.000 0.260 577 K C -1.778 174.049 176.600 -1.287 0.000 1.011 577 K CA -0.872 54.699 56.287 -1.195 0.000 0.871 577 K CB 2.315 33.816 32.500 -1.666 0.000 1.404 577 K HN 0.245 nan 8.250 nan 0.000 0.450 578 Y N 0.340 120.433 120.300 -0.345 0.000 2.499 578 Y HA 0.198 4.748 4.550 0.000 0.000 0.347 578 Y C -0.026 176.016 175.900 0.237 0.000 0.987 578 Y CA -1.229 56.862 58.100 -0.015 0.000 1.044 578 Y CB 1.225 39.677 38.460 -0.014 0.000 1.245 578 Y HN 0.640 nan 8.280 nan 0.000 0.461 579 D N -0.375 120.304 120.400 0.466 0.000 2.432 579 D HA 0.157 4.797 4.640 0.000 0.000 0.258 579 D C 0.470 176.890 176.300 0.199 0.000 1.146 579 D CA -0.566 53.617 54.000 0.305 0.000 1.015 579 D CB 0.755 41.671 40.800 0.193 0.000 1.107 579 D HN 0.539 nan 8.370 nan 0.000 0.529 580 E N -0.023 120.248 120.200 0.117 0.000 2.130 580 E HA -0.213 4.137 4.350 0.000 0.000 0.196 580 E C 0.784 177.422 176.600 0.063 0.000 0.998 580 E CA 1.366 57.807 56.400 0.069 0.000 0.806 580 E CB -0.667 29.056 29.700 0.038 0.000 0.738 580 E HN 0.427 nan 8.360 nan 0.000 0.459 581 N N 0.532 119.278 118.700 0.078 0.000 2.434 581 N HA 0.114 4.854 4.740 0.000 0.000 0.196 581 N C 0.638 176.201 175.510 0.090 0.000 1.183 581 N CA 0.828 53.919 53.050 0.068 0.000 0.849 581 N CB 0.303 38.825 38.487 0.058 0.000 0.992 581 N HN 0.316 nan 8.380 nan 0.000 0.460 582 G N 0.723 109.594 108.800 0.118 0.000 2.273 582 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 582 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 582 G C -0.469 174.613 174.900 0.302 0.000 1.047 582 G CA -0.261 44.918 45.100 0.131 0.000 0.869 582 G HN 0.307 nan 8.290 nan 0.000 0.502 583 N N 1.023 119.920 118.700 0.329 0.000 2.421 583 N HA 0.489 5.229 4.740 0.000 0.000 0.285 583 N C -2.464 173.223 175.510 0.294 0.000 1.027 583 N CA -1.485 51.744 53.050 0.298 0.000 0.918 583 N CB 2.116 40.720 38.487 0.195 0.000 1.152 583 N HN 0.129 nan 8.380 nan 0.000 0.485 584 P HA 0.298 nan 4.420 nan 0.000 0.279 584 P C -0.558 176.658 177.300 -0.139 0.000 1.239 584 P CA -0.314 62.505 63.100 -0.468 0.000 0.789 584 P CB 0.630 32.116 31.700 -0.357 0.000 0.933 585 W N -0.164 120.864 121.300 -0.454 0.000 3.213 585 W HA 0.382 5.042 4.660 0.000 0.000 0.318 585 W C -1.492 174.841 176.519 -0.310 0.000 1.248 585 W CA -1.014 56.103 57.345 -0.380 0.000 1.187 585 W CB 0.264 29.363 29.460 -0.602 0.000 1.403 585 W HN 0.149 nan 8.180 nan 0.000 0.556 586 S N 1.891 117.660 115.700 0.114 0.000 2.481 586 S HA 0.556 5.026 4.470 0.000 0.000 0.276 586 S C 0.198 174.980 174.600 0.303 0.000 1.247 586 S CA -0.246 58.024 58.200 0.117 0.000 1.053 586 S CB 0.975 64.280 63.200 0.175 0.000 0.925 586 S HN 0.664 nan 8.310 nan 0.000 0.491 587 A N 2.834 125.694 122.820 0.066 0.000 2.337 587 A HA 0.878 5.198 4.320 0.000 0.000 0.331 587 A C -0.630 177.255 177.584 0.501 0.000 1.137 587 A CA -0.822 51.317 52.037 0.170 0.000 0.807 587 A CB 0.703 19.541 19.000 -0.271 0.000 1.250 587 A HN 0.870 nan 8.150 nan 0.000 0.468 588 Y N -0.760 119.896 120.300 0.594 0.000 2.965 588 Y HA 0.766 5.316 4.550 0.000 0.000 0.310 588 Y C 0.621 176.901 175.900 0.633 0.000 1.480 588 Y CA -1.362 57.072 58.100 0.557 0.000 1.094 588 Y CB -0.020 38.590 38.460 0.250 0.000 1.377 588 Y HN 0.959 nan 8.280 nan 0.000 0.514 589 G N 0.014 109.213 108.800 0.665 0.000 2.224 589 G HA2 0.355 4.315 3.960 0.000 0.000 0.239 589 G HA3 0.355 4.315 3.960 0.000 0.000 0.239 589 G C 1.002 176.243 174.900 0.568 0.000 1.240 589 G CA 0.504 45.930 45.100 0.543 0.000 0.896 589 G HN 2.021 nan 8.290 nan 0.000 0.496 590 G N 2.280 111.385 108.800 0.508 0.000 2.234 590 G HA2 -0.288 3.672 3.960 0.000 0.000 0.260 590 G HA3 -0.288 3.672 3.960 0.000 0.000 0.260 590 G C 0.881 175.995 174.900 0.357 0.000 0.987 590 G CA 0.716 46.049 45.100 0.388 0.000 0.625 590 G HN 0.669 nan 8.290 nan 0.000 0.532 591 D N -0.361 120.287 120.400 0.413 0.000 2.392 591 D HA 0.146 4.786 4.640 0.000 0.000 0.228 591 D C 1.251 177.409 176.300 -0.236 0.000 1.003 591 D CA 0.556 54.628 54.000 0.121 0.000 0.917 591 D CB -0.200 40.634 40.800 0.056 0.000 0.890 591 D HN 0.480 nan 8.370 nan 0.000 0.532 592 F N -1.066 118.998 119.950 0.190 0.000 2.735 592 F HA 0.313 4.840 4.527 0.000 0.000 0.308 592 F C 1.740 177.622 175.800 0.137 0.000 1.112 592 F CA -0.294 57.782 58.000 0.127 0.000 1.235 592 F CB 0.598 39.668 39.000 0.116 0.000 1.027 592 F HN -0.070 nan 8.300 nan 0.000 0.528 593 G N 0.748 109.708 108.800 0.267 0.000 2.155 593 G HA2 -0.297 3.663 3.960 0.000 0.000 0.257 593 G HA3 -0.297 3.663 3.960 0.000 0.000 0.257 593 G C -0.141 174.902 174.900 0.238 0.000 0.983 593 G CA 0.306 45.530 45.100 0.207 0.000 0.676 593 G HN 0.431 nan 8.290 nan 0.000 0.528 594 D N 0.447 121.043 120.400 0.327 0.000 2.425 594 D HA 0.429 5.069 4.640 0.000 0.000 0.247 594 D C 0.010 176.442 176.300 0.219 0.000 1.147 594 D CA 0.533 54.712 54.000 0.299 0.000 0.879 594 D CB 1.188 42.224 40.800 0.392 0.000 1.179 594 D HN 0.059 nan 8.370 nan 0.000 0.456 595 T N 2.332 116.985 114.554 0.166 0.000 2.952 595 T HA 0.482 4.832 4.350 0.000 0.000 0.305 595 T C -2.361 172.383 174.700 0.073 0.000 1.064 595 T CA -0.950 61.215 62.100 0.107 0.000 1.008 595 T CB 1.975 70.900 68.868 0.095 0.000 1.078 595 T HN 0.382 nan 8.240 nan 0.000 0.459 596 P HA 0.531 nan 4.420 nan 0.000 0.281 596 P C -1.150 176.139 177.300 -0.018 0.000 1.281 596 P CA -0.724 62.376 63.100 0.001 0.000 0.811 596 P CB 0.788 32.461 31.700 -0.044 0.000 1.154 597 N N -1.161 117.528 118.700 -0.019 0.000 2.610 597 N HA 0.172 4.912 4.740 0.000 0.000 0.264 597 N C -1.063 174.409 175.510 -0.064 0.000 1.348 597 N CA -0.533 52.492 53.050 -0.042 0.000 0.819 597 N CB 1.534 40.095 38.487 0.124 0.000 1.521 597 N HN 0.202 nan 8.380 nan 0.000 0.497 598 D N 0.011 120.350 120.400 -0.101 0.000 2.462 598 D HA 0.187 4.827 4.640 0.000 0.000 0.221 598 D C 0.372 176.851 176.300 0.298 0.000 1.173 598 D CA -0.197 53.807 54.000 0.006 0.000 0.831 598 D CB 0.941 41.612 40.800 -0.216 0.000 1.001 598 D HN 0.552 nan 8.370 nan 0.000 0.499 599 R N 0.116 120.825 120.500 0.349 0.000 3.853 599 R HA -0.333 4.007 4.340 0.000 0.000 0.440 599 R C 1.388 177.720 176.300 0.053 0.000 0.241 599 R CA 1.822 58.126 56.100 0.340 0.000 1.395 599 R CB -1.334 29.096 30.300 0.218 0.000 0.984 599 R HN 0.052 nan 8.270 nan 0.000 0.570 600 Q N 0.268 119.801 119.800 -0.444 0.000 2.291 600 Q HA -0.028 4.312 4.340 0.000 0.000 0.206 600 Q C 1.717 177.536 176.000 -0.301 0.000 0.976 600 Q CA 1.657 57.072 55.803 -0.646 0.000 0.875 600 Q CB -0.258 28.044 28.738 -0.727 0.000 0.927 600 Q HN 0.423 nan 8.270 nan 0.000 0.450 601 F N 1.091 120.915 119.950 -0.210 0.000 2.214 601 F HA -0.300 4.227 4.527 0.000 0.000 0.302 601 F C 1.692 177.398 175.800 -0.156 0.000 1.063 601 F CA 1.229 59.187 58.000 -0.069 0.000 1.319 601 F CB -0.233 38.813 39.000 0.078 0.000 1.046 601 F HN 0.357 nan 8.300 nan 0.000 0.505 602 C N -1.351 117.575 119.300 -0.623 0.000 2.576 602 C HA 0.223 4.683 4.460 0.000 0.000 0.267 602 C C 0.974 175.703 174.990 -0.436 0.000 1.364 602 C CA -0.522 58.025 59.018 -0.786 0.000 1.723 602 C CB -1.934 24.889 27.740 -1.529 0.000 1.778 602 C HN 0.200 nan 8.230 nan 0.000 0.572 603 M N 2.965 122.351 119.600 -0.356 0.000 2.036 603 M HA 0.340 4.820 4.480 0.000 0.000 0.337 603 M C -0.474 175.658 176.300 -0.281 0.000 1.012 603 M CA 0.245 55.393 55.300 -0.253 0.000 0.962 603 M CB 0.512 33.021 32.600 -0.150 0.000 1.423 603 M HN 0.218 nan 8.290 nan 0.000 0.405 604 N N 1.576 120.092 118.700 -0.306 0.000 2.232 604 N HA 0.163 4.903 4.740 0.000 0.000 0.240 604 N C 0.211 175.474 175.510 -0.411 0.000 1.307 604 N CA -0.097 52.724 53.050 -0.381 0.000 0.859 604 N CB 1.348 39.650 38.487 -0.308 0.000 1.260 604 N HN 0.712 nan 8.380 nan 0.000 0.501 605 G N -0.010 108.532 108.800 -0.430 0.000 2.504 605 G HA2 0.449 4.409 3.960 0.000 0.000 0.288 605 G HA3 0.449 4.409 3.960 0.000 0.000 0.288 605 G C 0.890 175.329 174.900 -0.767 0.000 1.182 605 G CA -0.473 44.286 45.100 -0.569 0.000 0.894 605 G HN 0.109 nan 8.290 nan 0.000 0.521 606 L N -0.242 120.524 121.223 -0.762 0.000 2.418 606 L HA 0.156 4.496 4.340 0.000 0.000 0.218 606 L C 0.712 176.906 176.870 -1.127 0.000 1.125 606 L CA 0.273 54.655 54.840 -0.763 0.000 0.835 606 L CB -0.087 41.682 42.059 -0.483 0.000 0.953 606 L HN 0.394 nan 8.230 nan 0.000 0.454 607 V N -5.283 113.870 119.914 -1.269 0.000 3.040 607 V HA 0.461 4.581 4.120 0.000 0.000 0.312 607 V C -0.435 175.170 176.094 -0.815 0.000 1.115 607 V CA -1.242 60.434 62.300 -1.040 0.000 0.998 607 V CB 1.682 32.967 31.823 -0.897 0.000 1.042 607 V HN -0.132 nan 8.190 nan 0.000 0.433 608 F N 1.469 121.267 119.950 -0.254 0.000 2.450 608 F HA 0.544 5.071 4.527 0.000 0.000 0.339 608 F C 1.956 177.664 175.800 -0.155 0.000 1.146 608 F CA 0.414 58.386 58.000 -0.047 0.000 1.267 608 F CB 1.392 40.396 39.000 0.007 0.000 1.178 608 F HN 0.826 nan 8.300 nan 0.000 0.585 609 A N 1.269 124.169 122.820 0.133 0.000 1.997 609 A HA -0.295 4.025 4.320 0.000 0.000 0.221 609 A C 1.537 179.086 177.584 -0.059 0.000 1.172 609 A CA 2.185 54.239 52.037 0.028 0.000 0.645 609 A CB -1.113 17.942 19.000 0.092 0.000 0.813 609 A HN 0.862 nan 8.150 nan 0.000 0.454 610 D N -3.094 117.292 120.400 -0.024 0.000 2.336 610 D HA 0.199 4.839 4.640 0.000 0.000 0.229 610 D C 0.529 176.804 176.300 -0.042 0.000 1.061 610 D CA 0.015 53.976 54.000 -0.065 0.000 0.875 610 D CB -0.069 40.698 40.800 -0.054 0.000 0.904 610 D HN 0.185 nan 8.370 nan 0.000 0.525 611 R N -0.799 119.669 120.500 -0.053 0.000 3.527 611 R HA -0.118 4.222 4.340 0.000 0.000 0.288 611 R C -0.620 175.656 176.300 -0.039 0.000 1.146 611 R CA 1.025 57.069 56.100 -0.093 0.000 0.778 611 R CB -3.269 27.012 30.300 -0.032 0.000 1.289 611 R HN 0.562 nan 8.270 nan 0.000 0.454 612 T N -2.344 112.248 114.554 0.064 0.000 2.797 612 T HA 0.729 5.079 4.350 0.000 0.000 0.279 612 T C -2.513 172.334 174.700 0.245 0.000 0.991 612 T CA -2.452 59.738 62.100 0.150 0.000 0.979 612 T CB 2.607 71.550 68.868 0.125 0.000 0.943 612 T HN -0.180 nan 8.240 nan 0.000 0.444 613 P HA 0.145 nan 4.420 nan 0.000 0.268 613 P C -0.143 177.201 177.300 0.073 0.000 1.205 613 P CA -0.081 62.998 63.100 -0.035 0.000 0.771 613 P CB 0.238 31.928 31.700 -0.016 0.000 0.858 614 H N 2.945 121.801 119.070 -0.356 0.000 2.495 614 H HA 0.159 4.715 4.556 0.000 0.000 0.350 614 H C -1.260 173.958 175.328 -0.184 0.000 1.202 614 H CA -2.085 53.746 56.048 -0.363 0.000 1.322 614 H CB 0.584 30.102 29.762 -0.406 0.000 1.544 614 H HN 0.300 nan 8.280 nan 0.000 0.565 615 P HA -0.120 nan 4.420 nan 0.000 0.219 615 P C 1.243 178.539 177.300 -0.007 0.000 1.150 615 P CA 1.274 64.362 63.100 -0.020 0.000 0.814 615 P CB -0.035 31.649 31.700 -0.026 0.000 0.787 616 A N 0.046 122.862 122.820 -0.006 0.000 1.986 616 A HA -0.217 4.103 4.320 0.000 0.000 0.220 616 A C 2.119 179.646 177.584 -0.095 0.000 1.171 616 A CA 1.542 53.540 52.037 -0.065 0.000 0.640 616 A CB -1.744 17.195 19.000 -0.101 0.000 0.811 616 A HN 0.168 nan 8.150 nan 0.000 0.451 617 L N -0.039 121.141 121.223 -0.071 0.000 2.137 617 L HA -0.190 4.150 4.340 0.000 0.000 0.213 617 L C 2.436 179.333 176.870 0.043 0.000 1.085 617 L CA 2.742 57.568 54.840 -0.024 0.000 0.760 617 L CB -0.807 41.233 42.059 -0.031 0.000 0.893 617 L HN 0.434 nan 8.230 nan 0.000 0.434 618 T N -1.523 113.063 114.554 0.054 0.000 2.812 618 T HA -0.162 4.188 4.350 0.000 0.000 0.264 618 T C 1.697 176.490 174.700 0.155 0.000 1.042 618 T CA 1.200 63.386 62.100 0.142 0.000 1.140 618 T CB -0.158 68.778 68.868 0.113 0.000 0.870 618 T HN 0.335 nan 8.240 nan 0.000 0.445 619 E N 1.710 121.949 120.200 0.065 0.000 2.085 619 E HA -0.100 4.250 4.350 0.000 0.000 0.194 619 E C 2.230 178.836 176.600 0.011 0.000 0.994 619 E CA 1.404 57.849 56.400 0.074 0.000 0.801 619 E CB -0.535 29.175 29.700 0.018 0.000 0.743 619 E HN 0.447 nan 8.360 nan 0.000 0.453 620 A N 0.909 123.625 122.820 -0.174 0.000 1.877 620 A HA -0.250 4.070 4.320 0.000 0.000 0.216 620 A C 2.179 179.661 177.584 -0.169 0.000 1.186 620 A CA 2.046 53.932 52.037 -0.252 0.000 0.620 620 A CB -0.700 18.132 19.000 -0.280 0.000 0.822 620 A HN 0.290 nan 8.150 nan 0.000 0.443 621 K N -1.249 119.126 120.400 -0.042 0.000 2.074 621 K HA -0.303 4.017 4.320 0.000 0.000 0.209 621 K C 2.060 178.573 176.600 -0.145 0.000 1.048 621 K CA 2.122 58.398 56.287 -0.019 0.000 0.926 621 K CB -0.351 32.273 32.500 0.206 0.000 0.713 621 K HN 0.660 nan 8.250 nan 0.000 0.444 622 H N 0.308 119.216 119.070 -0.271 0.000 2.326 622 H HA -0.019 4.537 4.556 0.000 0.000 0.301 622 H C 1.918 176.973 175.328 -0.456 0.000 1.081 622 H CA 1.814 57.514 56.048 -0.580 0.000 1.334 622 H CB 0.013 29.441 29.762 -0.557 0.000 1.385 622 H HN 0.235 nan 8.280 nan 0.000 0.504 623 Q N 0.236 119.761 119.800 -0.459 0.000 2.291 623 Q HA -0.105 4.235 4.340 0.000 0.000 0.206 623 Q C 1.655 177.116 176.000 -0.898 0.000 0.976 623 Q CA 1.240 56.683 55.803 -0.601 0.000 0.875 623 Q CB 0.015 28.512 28.738 -0.401 0.000 0.927 623 Q HN 0.731 nan 8.270 nan 0.000 0.450 624 Q N 0.753 120.020 119.800 -0.889 0.000 2.360 624 Q HA 0.027 4.367 4.340 0.000 0.000 0.202 624 Q C 0.122 175.573 176.000 -0.915 0.000 0.915 624 Q CA -0.243 54.905 55.803 -1.092 0.000 0.943 624 Q CB 0.230 28.353 28.738 -1.025 0.000 1.064 624 Q HN 0.456 nan 8.270 nan 0.000 0.511 625 Q N -0.411 118.993 119.800 -0.660 0.000 2.428 625 Q HA -0.038 4.302 4.340 0.000 0.000 0.276 625 Q C -0.269 175.331 176.000 -0.667 0.000 1.059 625 Q CA 0.322 55.843 55.803 -0.470 0.000 0.923 625 Q CB 0.322 28.933 28.738 -0.212 0.000 1.283 625 Q HN 0.167 nan 8.270 nan 0.000 0.447 626 F N -0.070 119.625 119.950 -0.425 0.000 2.797 626 F HA 0.261 4.788 4.527 0.000 0.000 0.302 626 F C -0.107 175.121 175.800 -0.953 0.000 1.130 626 F CA 0.001 57.515 58.000 -0.809 0.000 1.387 626 F CB 0.387 38.570 39.000 -1.362 0.000 1.107 626 F HN 0.352 nan 8.300 nan 0.000 0.577 627 F N 0.209 120.067 119.950 -0.153 0.000 2.495 627 F HA 0.488 5.015 4.527 0.000 0.000 0.327 627 F C -0.087 175.374 175.800 -0.565 0.000 1.103 627 F CA -1.038 56.777 58.000 -0.308 0.000 0.949 627 F CB 1.277 40.111 39.000 -0.276 0.000 1.142 627 F HN -0.320 nan 8.300 nan 0.000 0.457 628 Q N 3.136 122.664 119.800 -0.453 0.000 2.365 628 Q HA 0.525 4.865 4.340 0.000 0.000 0.269 628 Q C -1.432 174.223 176.000 -0.575 0.000 1.061 628 Q CA -0.662 54.876 55.803 -0.443 0.000 0.816 628 Q CB 3.046 31.675 28.738 -0.182 0.000 1.325 628 Q HN 0.539 nan 8.270 nan 0.000 0.446 629 F N 0.346 120.414 119.950 0.197 0.000 2.522 629 F HA 0.601 5.128 4.527 0.000 0.000 0.324 629 F C 0.496 176.520 175.800 0.374 0.000 1.077 629 F CA -0.852 57.337 58.000 0.315 0.000 0.944 629 F CB 1.987 41.285 39.000 0.497 0.000 1.175 629 F HN 0.101 nan 8.300 nan 0.000 0.468 630 R N 1.841 122.655 120.500 0.523 0.000 2.628 630 R HA 0.621 4.961 4.340 0.000 0.000 0.288 630 R C -1.985 174.398 176.300 0.139 0.000 0.980 630 R CA -1.161 55.146 56.100 0.344 0.000 0.891 630 R CB 2.650 33.057 30.300 0.179 0.000 1.188 630 R HN 0.609 nan 8.270 nan 0.000 0.450 631 L N 1.509 122.706 121.223 -0.044 0.000 2.313 631 L HA 0.475 4.815 4.340 0.000 0.000 0.283 631 L C -0.978 175.742 176.870 -0.249 0.000 1.013 631 L CA 0.152 54.731 54.840 -0.435 0.000 0.816 631 L CB 1.949 43.278 42.059 -1.216 0.000 1.236 631 L HN 0.468 nan 8.230 nan 0.000 0.419 632 S N 3.904 119.481 115.700 -0.205 0.000 2.774 632 S HA 0.696 5.166 4.470 0.000 0.000 0.297 632 S C 0.376 174.891 174.600 -0.141 0.000 1.143 632 S CA 0.225 58.343 58.200 -0.135 0.000 1.090 632 S CB 0.222 63.378 63.200 -0.073 0.000 1.019 632 S HN 1.474 nan 8.310 nan 0.000 0.482 633 G N 4.247 112.961 108.800 -0.142 0.000 2.574 633 G HA2 -0.286 3.674 3.960 0.000 0.000 0.301 633 G HA3 -0.286 3.674 3.960 0.000 0.000 0.301 633 G C 0.381 175.181 174.900 -0.168 0.000 1.166 633 G CA 0.588 45.611 45.100 -0.130 0.000 0.971 633 G HN 0.645 nan 8.290 nan 0.000 0.542 634 Q N 1.242 120.951 119.800 -0.152 0.000 2.198 634 Q HA 0.239 4.579 4.340 0.000 0.000 0.209 634 Q C -0.068 175.813 176.000 -0.197 0.000 0.848 634 Q CA 0.607 56.300 55.803 -0.182 0.000 0.974 634 Q CB 0.710 29.359 28.738 -0.149 0.000 1.115 634 Q HN 0.548 nan 8.270 nan 0.000 0.494 635 T N 0.746 115.194 114.554 -0.177 0.000 2.797 635 T HA 0.522 4.872 4.350 0.000 0.000 0.279 635 T C 0.023 174.624 174.700 -0.165 0.000 0.991 635 T CA -0.400 61.611 62.100 -0.148 0.000 0.979 635 T CB 1.574 70.387 68.868 -0.092 0.000 0.943 635 T HN 0.034 nan 8.240 nan 0.000 0.444 636 I N 2.399 122.894 120.570 -0.125 0.000 2.359 636 I HA 0.350 4.520 4.170 0.000 0.000 0.294 636 I C 0.446 176.595 176.117 0.053 0.000 0.987 636 I CA -0.717 60.546 61.300 -0.062 0.000 1.225 636 I CB 1.542 39.533 38.000 -0.015 0.000 1.366 636 I HN 0.632 nan 8.210 nan 0.000 0.466 637 E N 6.381 126.643 120.200 0.103 0.000 2.134 637 E HA 0.475 4.825 4.350 0.000 0.000 0.278 637 E C -1.554 175.157 176.600 0.184 0.000 0.959 637 E CA -0.578 55.892 56.400 0.117 0.000 0.783 637 E CB 1.615 31.363 29.700 0.079 0.000 1.095 637 E HN 0.367 nan 8.360 nan 0.000 0.399 638 V N 3.805 123.806 119.914 0.144 0.000 2.513 638 V HA 0.410 4.530 4.120 0.000 0.000 0.299 638 V C -0.115 176.003 176.094 0.041 0.000 1.035 638 V CA -0.621 61.733 62.300 0.090 0.000 0.889 638 V CB 1.927 33.831 31.823 0.135 0.000 0.988 638 V HN 0.741 nan 8.190 nan 0.000 0.440 639 T N 2.680 117.214 114.554 -0.033 0.000 2.848 639 T HA 0.374 4.724 4.350 0.000 0.000 0.285 639 T C -0.312 174.380 174.700 -0.013 0.000 0.995 639 T CA -0.349 61.742 62.100 -0.015 0.000 0.970 639 T CB 1.647 70.486 68.868 -0.047 0.000 0.976 639 T HN 0.677 nan 8.240 nan 0.000 0.441 640 S N 1.591 117.292 115.700 0.000 0.000 2.480 640 S HA 0.261 4.731 4.470 0.000 0.000 0.286 640 S C 0.617 175.107 174.600 -0.184 0.000 1.180 640 S CA -0.587 57.558 58.200 -0.092 0.000 1.075 640 S CB 0.581 63.802 63.200 0.035 0.000 0.996 640 S HN 0.708 nan 8.310 nan 0.000 0.487 641 E N 3.213 123.203 120.200 -0.349 0.000 2.451 641 E HA 0.100 4.450 4.350 0.000 0.000 0.194 641 E C -0.906 175.530 176.600 -0.273 0.000 1.027 641 E CA -0.075 56.152 56.400 -0.287 0.000 0.914 641 E CB 0.354 29.859 29.700 -0.324 0.000 1.054 641 E HN 0.673 nan 8.360 nan 0.000 0.461 642 Y N 0.447 120.650 120.300 -0.163 0.000 2.319 642 Y HA 0.093 4.643 4.550 0.000 0.000 0.328 642 Y C 1.395 177.143 175.900 -0.254 0.000 1.133 642 Y CA -0.253 57.729 58.100 -0.196 0.000 1.265 642 Y CB 0.978 39.302 38.460 -0.227 0.000 1.218 642 Y HN -0.023 nan 8.280 nan 0.000 0.508 643 L N 1.703 122.783 121.223 -0.238 0.000 2.298 643 L HA 0.019 4.359 4.340 0.000 0.000 0.209 643 L C 0.669 177.088 176.870 -0.753 0.000 1.084 643 L CA 0.931 55.360 54.840 -0.684 0.000 0.816 643 L CB 0.005 41.209 42.059 -1.425 0.000 0.967 643 L HN 0.679 nan 8.230 nan 0.000 0.460 644 F N -0.605 119.365 119.950 0.033 0.000 2.747 644 F HA 0.197 4.724 4.527 0.000 0.000 0.305 644 F C 1.266 177.045 175.800 -0.034 0.000 1.065 644 F CA -0.793 57.197 58.000 -0.018 0.000 1.230 644 F CB 0.362 39.328 39.000 -0.057 0.000 1.027 644 F HN -0.110 nan 8.300 nan 0.000 0.607 645 R N -0.220 120.313 120.500 0.055 0.000 2.674 645 R HA 0.521 4.861 4.340 0.000 0.000 0.266 645 R C -1.114 175.172 176.300 -0.024 0.000 1.016 645 R CA -0.727 55.345 56.100 -0.048 0.000 1.062 645 R CB 0.773 30.941 30.300 -0.220 0.000 1.142 645 R HN 0.045 nan 8.270 nan 0.000 0.517 646 H N -0.159 118.878 119.070 -0.055 0.000 2.483 646 H HA 0.171 4.727 4.556 0.000 0.000 0.338 646 H C -0.167 175.169 175.328 0.014 0.000 1.152 646 H CA -0.320 55.733 56.048 0.010 0.000 1.264 646 H CB 1.413 31.189 29.762 0.024 0.000 1.510 646 H HN 0.747 nan 8.280 nan 0.000 0.530 647 S N 2.170 117.735 115.700 -0.223 0.000 4.053 647 S HA -0.052 4.418 4.470 0.000 0.000 0.184 647 S C 0.203 174.918 174.600 0.192 0.000 1.324 647 S CA -0.104 58.146 58.200 0.084 0.000 0.956 647 S CB -0.866 62.386 63.200 0.087 0.000 1.503 647 S HN 0.732 nan 8.310 nan 0.000 0.440 648 D N 0.556 121.073 120.400 0.197 0.000 2.328 648 D HA 0.012 4.652 4.640 0.000 0.000 0.226 648 D C 0.432 176.792 176.300 0.099 0.000 1.066 648 D CA -0.120 53.981 54.000 0.167 0.000 0.861 648 D CB -0.253 40.626 40.800 0.132 0.000 0.912 648 D HN 0.490 nan 8.370 nan 0.000 0.521 649 N N 0.008 118.767 118.700 0.098 0.000 2.622 649 N HA 0.125 4.865 4.740 0.000 0.000 0.293 649 N C -1.580 173.986 175.510 0.094 0.000 1.788 649 N CA -0.246 52.851 53.050 0.079 0.000 0.860 649 N CB 0.275 38.796 38.487 0.057 0.000 1.388 649 N HN -0.068 nan 8.380 nan 0.000 0.496 650 E N 0.090 120.342 120.200 0.086 0.000 2.246 650 E HA 0.447 4.797 4.350 0.000 0.000 0.266 650 E C -1.574 175.055 176.600 0.048 0.000 0.880 650 E CA -0.597 55.837 56.400 0.057 0.000 0.762 650 E CB 1.955 31.657 29.700 0.003 0.000 1.180 650 E HN 0.076 nan 8.360 nan 0.000 0.416 651 L N 3.427 124.679 121.223 0.049 0.000 2.341 651 L HA 0.541 4.881 4.340 0.000 0.000 0.278 651 L C -1.510 175.423 176.870 0.106 0.000 1.005 651 L CA -0.923 53.973 54.840 0.092 0.000 0.818 651 L CB 1.543 43.672 42.059 0.116 0.000 1.259 651 L HN 0.595 nan 8.230 nan 0.000 0.418 652 L N 5.126 126.456 121.223 0.178 0.000 2.262 652 L HA 0.446 4.786 4.340 0.000 0.000 0.288 652 L C -0.665 176.421 176.870 0.360 0.000 1.035 652 L CA 0.077 55.051 54.840 0.224 0.000 0.820 652 L CB 0.380 42.566 42.059 0.212 0.000 1.204 652 L HN 0.568 nan 8.230 nan 0.000 0.424 653 H N 5.752 124.882 119.070 0.100 0.000 2.467 653 H HA 0.381 4.937 4.556 0.000 0.000 0.326 653 H C -1.097 174.305 175.328 0.124 0.000 1.094 653 H CA -0.704 55.364 56.048 0.033 0.000 1.253 653 H CB 0.966 30.713 29.762 -0.025 0.000 1.439 653 H HN 0.706 nan 8.280 nan 0.000 0.479 654 W N 3.432 124.801 121.300 0.113 0.000 2.929 654 W HA 0.588 5.248 4.660 0.000 0.000 0.345 654 W C -1.406 175.151 176.519 0.064 0.000 1.151 654 W CA -1.439 55.962 57.345 0.094 0.000 1.111 654 W CB 1.577 31.083 29.460 0.078 0.000 1.449 654 W HN 0.605 nan 8.180 nan 0.000 0.572 655 M N 1.191 121.146 119.600 0.591 0.000 2.569 655 M HA 0.529 5.009 4.480 0.000 0.000 0.287 655 M C -2.642 173.904 176.300 0.410 0.000 1.130 655 M CA -0.521 54.989 55.300 0.348 0.000 0.885 655 M CB 1.768 34.374 32.600 0.009 0.000 1.759 655 M HN 0.134 nan 8.290 nan 0.000 0.515 656 V N 2.487 122.618 119.914 0.363 0.000 2.495 656 V HA 1.039 5.159 4.120 0.000 0.000 0.298 656 V C -0.188 176.021 176.094 0.193 0.000 1.031 656 V CA 0.021 62.495 62.300 0.291 0.000 0.871 656 V CB 1.173 33.172 31.823 0.293 0.000 0.988 656 V HN 1.135 nan 8.190 nan 0.000 0.432 657 A N 4.168 127.114 122.820 0.209 0.000 2.539 657 A HA 0.899 5.219 4.320 0.000 0.000 0.296 657 A C -1.649 176.068 177.584 0.221 0.000 1.073 657 A CA -0.614 51.518 52.037 0.158 0.000 0.700 657 A CB 1.831 20.877 19.000 0.078 0.000 1.296 657 A HN 0.842 nan 8.150 nan 0.000 0.405 658 L N 1.254 122.572 121.223 0.159 0.000 2.294 658 L HA 0.580 4.920 4.340 0.000 0.000 0.283 658 L C -0.459 176.517 176.870 0.177 0.000 1.015 658 L CA 0.285 55.233 54.840 0.181 0.000 0.831 658 L CB 0.503 42.632 42.059 0.115 0.000 1.217 658 L HN 0.769 nan 8.230 nan 0.000 0.420 659 D N 4.659 125.235 120.400 0.293 0.000 2.733 659 D HA -0.211 4.429 4.640 0.000 0.000 0.232 659 D C 1.172 177.503 176.300 0.053 0.000 1.161 659 D CA 1.656 55.807 54.000 0.252 0.000 0.653 659 D CB -0.992 39.922 40.800 0.191 0.000 1.052 659 D HN 1.179 nan 8.370 nan 0.000 0.424 660 G N -1.380 107.414 108.800 -0.011 0.000 2.254 660 G HA2 -0.344 3.616 3.960 0.000 0.000 0.225 660 G HA3 -0.344 3.616 3.960 0.000 0.000 0.225 660 G C 0.201 175.031 174.900 -0.117 0.000 1.003 660 G CA 0.241 45.231 45.100 -0.182 0.000 0.622 660 G HN 0.429 nan 8.290 nan 0.000 0.507 661 K N 2.432 122.812 120.400 -0.034 0.000 2.285 661 K HA 0.542 4.862 4.320 0.000 0.000 0.286 661 K C -2.555 174.045 176.600 0.001 0.000 1.072 661 K CA -1.889 54.382 56.287 -0.026 0.000 0.913 661 K CB 1.564 34.061 32.500 -0.005 0.000 1.067 661 K HN 0.131 nan 8.250 nan 0.000 0.479 662 P HA 0.078 nan 4.420 nan 0.000 0.276 662 P C -0.218 177.088 177.300 0.010 0.000 1.243 662 P CA -0.074 63.020 63.100 -0.010 0.000 0.768 662 P CB 0.759 32.428 31.700 -0.051 0.000 0.856 663 L N 1.449 122.698 121.223 0.045 0.000 2.642 663 L HA 0.524 4.864 4.340 0.000 0.000 0.233 663 L C 0.864 177.771 176.870 0.062 0.000 1.077 663 L CA 0.211 55.083 54.840 0.053 0.000 0.879 663 L CB 0.209 42.316 42.059 0.080 0.000 1.151 663 L HN 0.367 nan 8.230 nan 0.000 0.495 664 A N 0.161 123.029 122.820 0.081 0.000 2.594 664 A HA 0.619 4.939 4.320 0.000 0.000 0.296 664 A C -0.802 176.735 177.584 -0.078 0.000 1.056 664 A CA -0.120 51.966 52.037 0.081 0.000 0.693 664 A CB 1.555 20.727 19.000 0.286 0.000 1.278 664 A HN 0.051 nan 8.150 nan 0.000 0.408 665 S N 0.264 115.685 115.700 -0.465 0.000 2.588 665 S HA 0.968 5.438 4.470 0.000 0.000 0.275 665 S C -0.159 173.466 174.600 -1.624 0.000 1.130 665 S CA -0.014 57.547 58.200 -1.065 0.000 0.855 665 S CB 1.613 64.482 63.200 -0.552 0.000 1.116 665 S HN 2.461 nan 8.310 nan 0.000 0.472 666 G N -0.157 107.249 108.800 -2.323 0.000 2.687 666 G HA2 0.671 4.631 3.960 0.000 0.000 0.291 666 G HA3 0.671 4.631 3.960 0.000 0.000 0.291 666 G C -2.020 172.346 174.900 -0.890 0.000 1.420 666 G CA -0.705 43.523 45.100 -1.452 0.000 0.796 666 G HN 0.813 nan 8.290 nan 0.000 0.485 667 E N -1.163 118.888 120.200 -0.248 0.000 2.304 667 E HA 0.570 4.920 4.350 0.000 0.000 0.277 667 E C -1.631 175.040 176.600 0.119 0.000 0.898 667 E CA -0.506 55.837 56.400 -0.096 0.000 0.764 667 E CB 2.902 32.482 29.700 -0.201 0.000 1.216 667 E HN 0.356 nan 8.360 nan 0.000 0.419 668 V N 4.769 124.799 119.914 0.194 0.000 2.777 668 V HA 0.464 4.584 4.120 0.000 0.000 0.306 668 V C -2.486 173.700 176.094 0.153 0.000 1.112 668 V CA -1.682 60.723 62.300 0.174 0.000 0.917 668 V CB 2.169 34.111 31.823 0.198 0.000 1.018 668 V HN 0.576 nan 8.190 nan 0.000 0.426 669 P HA 0.337 nan 4.420 nan 0.000 0.280 669 P C -0.838 176.520 177.300 0.097 0.000 1.244 669 P CA -0.188 62.974 63.100 0.103 0.000 0.784 669 P CB 1.048 32.802 31.700 0.091 0.000 0.913 670 L N 2.830 124.099 121.223 0.077 0.000 2.350 670 L HA 0.353 4.693 4.340 0.000 0.000 0.275 670 L C 0.475 177.405 176.870 0.099 0.000 1.099 670 L CA 0.198 55.074 54.840 0.059 0.000 0.808 670 L CB 0.626 42.667 42.059 -0.029 0.000 1.149 670 L HN 0.360 nan 8.230 nan 0.000 0.442 671 D N 2.306 122.771 120.400 0.108 0.000 2.586 671 D HA 0.383 5.023 4.640 0.000 0.000 0.254 671 D C -1.337 175.007 176.300 0.072 0.000 1.248 671 D CA -0.119 54.004 54.000 0.205 0.000 0.843 671 D CB 0.944 41.880 40.800 0.228 0.000 1.332 671 D HN 0.100 nan 8.370 nan 0.000 0.523 672 V N 0.523 120.305 119.914 -0.221 0.000 2.656 672 V HA 0.930 5.050 4.120 0.000 0.000 0.307 672 V C 0.589 176.379 176.094 -0.507 0.000 1.051 672 V CA -1.337 60.850 62.300 -0.188 0.000 0.893 672 V CB 1.456 33.296 31.823 0.027 0.000 0.999 672 V HN 0.455 nan 8.190 nan 0.000 0.426 673 A N 4.977 127.701 122.820 -0.160 0.000 2.322 673 A HA 0.812 5.132 4.320 0.000 0.000 0.269 673 A C -2.401 175.178 177.584 -0.008 0.000 1.094 673 A CA -1.723 50.296 52.037 -0.030 0.000 0.807 673 A CB -0.040 19.033 19.000 0.121 0.000 1.047 673 A HN 0.725 nan 8.150 nan 0.000 0.487 674 P HA -0.033 nan 4.420 nan 0.000 0.261 674 P C -0.429 176.864 177.300 -0.012 0.000 1.173 674 P CA 0.732 63.844 63.100 0.020 0.000 0.760 674 P CB 0.211 31.909 31.700 -0.003 0.000 0.783 675 Q N -1.222 118.557 119.800 -0.035 0.000 2.406 675 Q HA -0.185 4.155 4.340 0.000 0.000 0.236 675 Q C 0.696 176.685 176.000 -0.018 0.000 0.799 675 Q CA 1.490 57.265 55.803 -0.047 0.000 1.286 675 Q CB -2.472 26.230 28.738 -0.060 0.000 1.615 675 Q HN 0.758 nan 8.270 nan 0.000 0.621 676 G N 0.231 109.033 108.800 0.003 0.000 2.552 676 G HA2 0.594 4.554 3.960 0.000 0.000 0.318 676 G HA3 0.594 4.554 3.960 0.000 0.000 0.318 676 G C -0.513 174.404 174.900 0.028 0.000 1.240 676 G CA -0.688 44.423 45.100 0.019 0.000 1.002 676 G HN -0.027 nan 8.290 nan 0.000 0.493 677 K N -0.408 120.013 120.400 0.035 0.000 2.267 677 K HA 0.468 4.788 4.320 0.000 0.000 0.246 677 K C -0.869 175.764 176.600 0.056 0.000 0.954 677 K CA -0.570 55.743 56.287 0.044 0.000 0.824 677 K CB 2.373 34.894 32.500 0.034 0.000 1.167 677 K HN 0.556 nan 8.250 nan 0.000 0.431 678 Q N 3.174 123.014 119.800 0.068 0.000 2.305 678 Q HA 0.354 4.694 4.340 0.000 0.000 0.271 678 Q C -1.597 174.447 176.000 0.073 0.000 1.046 678 Q CA -0.638 55.209 55.803 0.072 0.000 0.798 678 Q CB 1.353 30.140 28.738 0.082 0.000 1.286 678 Q HN 0.532 nan 8.270 nan 0.000 0.435 679 L N 5.056 126.312 121.223 0.056 0.000 2.289 679 L HA 0.557 4.897 4.340 0.000 0.000 0.285 679 L C -0.336 176.556 176.870 0.036 0.000 1.049 679 L CA -0.761 54.103 54.840 0.041 0.000 0.804 679 L CB 1.186 43.258 42.059 0.022 0.000 1.195 679 L HN 0.627 nan 8.230 nan 0.000 0.428 680 I N 2.810 123.393 120.570 0.022 0.000 2.439 680 I HA 0.249 4.419 4.170 0.000 0.000 0.285 680 I C -0.253 175.830 176.117 -0.056 0.000 1.021 680 I CA -0.700 60.601 61.300 0.002 0.000 1.091 680 I CB 2.106 40.122 38.000 0.027 0.000 1.242 680 I HN 0.492 nan 8.210 nan 0.000 0.439 681 E N 6.509 126.678 120.200 -0.051 0.000 2.223 681 E HA 0.411 4.761 4.350 0.000 0.000 0.282 681 E C -0.664 175.859 176.600 -0.128 0.000 1.046 681 E CA -0.315 56.039 56.400 -0.078 0.000 0.857 681 E CB 1.427 31.101 29.700 -0.043 0.000 1.055 681 E HN 0.474 nan 8.360 nan 0.000 0.409 682 L N 6.005 127.118 121.223 -0.184 0.000 2.325 682 L HA 0.362 4.702 4.340 0.000 0.000 0.279 682 L C -1.917 174.845 176.870 -0.180 0.000 1.054 682 L CA -1.946 52.732 54.840 -0.271 0.000 0.804 682 L CB 1.334 43.150 42.059 -0.405 0.000 1.200 682 L HN 0.239 nan 8.230 nan 0.000 0.436 683 P HA 0.030 nan 4.420 nan 0.000 0.272 683 P C -0.477 176.773 177.300 -0.083 0.000 1.223 683 P CA -0.434 62.624 63.100 -0.071 0.000 0.784 683 P CB 0.510 32.215 31.700 0.008 0.000 0.923 684 E N 1.428 121.602 120.200 -0.043 0.000 2.652 684 E HA -0.043 4.307 4.350 0.000 0.000 0.255 684 E C -0.158 176.425 176.600 -0.027 0.000 0.952 684 E CA 0.619 56.996 56.400 -0.038 0.000 0.947 684 E CB 0.110 29.800 29.700 -0.017 0.000 0.912 684 E HN 0.342 nan 8.360 nan 0.000 0.489 685 L N 6.297 127.493 121.223 -0.044 0.000 2.357 685 L HA 0.314 4.654 4.340 0.000 0.000 0.273 685 L C -1.909 174.962 176.870 0.002 0.000 1.080 685 L CA -2.136 52.690 54.840 -0.023 0.000 0.803 685 L CB 0.681 42.708 42.059 -0.055 0.000 1.174 685 L HN 0.323 nan 8.230 nan 0.000 0.443 686 P HA 0.044 nan 4.420 nan 0.000 0.268 686 P C -0.887 176.426 177.300 0.022 0.000 1.204 686 P CA -0.218 62.902 63.100 0.034 0.000 0.768 686 P CB 0.610 32.344 31.700 0.057 0.000 0.842 687 Q N 2.488 122.298 119.800 0.016 0.000 2.647 687 Q HA 0.247 4.587 4.340 0.000 0.000 0.400 687 Q C -2.033 173.976 176.000 0.015 0.000 0.959 687 Q CA -1.708 54.102 55.803 0.010 0.000 1.079 687 Q CB -0.439 28.299 28.738 0.002 0.000 1.351 687 Q HN 0.401 nan 8.270 nan 0.000 0.411 688 P HA -0.158 nan 4.420 nan 0.000 0.268 688 P C 0.102 177.415 177.300 0.022 0.000 1.171 688 P CA 0.413 63.529 63.100 0.027 0.000 0.761 688 P CB 1.163 32.885 31.700 0.037 0.000 0.786 689 E N 0.537 120.750 120.200 0.022 0.000 2.127 689 E HA 0.007 4.357 4.350 0.000 0.000 0.191 689 E C 0.612 177.226 176.600 0.023 0.000 0.964 689 E CA 0.480 56.891 56.400 0.019 0.000 0.832 689 E CB -0.443 29.267 29.700 0.017 0.000 0.790 689 E HN 0.562 nan 8.360 nan 0.000 0.465 690 S N 1.287 117.003 115.700 0.028 0.000 2.537 690 S HA 0.156 4.626 4.470 0.000 0.000 0.280 690 S C 0.404 175.027 174.600 0.039 0.000 1.335 690 S CA 0.162 58.382 58.200 0.034 0.000 1.025 690 S CB 0.518 63.740 63.200 0.037 0.000 0.836 690 S HN 0.292 nan 8.310 nan 0.000 0.523 691 A N 1.000 123.846 122.820 0.044 0.000 2.302 691 A HA 0.819 5.139 4.320 0.000 0.000 0.285 691 A C 0.809 178.432 177.584 0.065 0.000 1.105 691 A CA 0.176 52.242 52.037 0.048 0.000 0.816 691 A CB 0.227 19.256 19.000 0.049 0.000 1.067 691 A HN 1.773 nan 8.150 nan 0.000 0.489 692 G N -0.038 108.803 108.800 0.068 0.000 2.357 692 G HA2 0.324 4.284 3.960 0.000 0.000 0.289 692 G HA3 0.324 4.284 3.960 0.000 0.000 0.289 692 G C -1.382 173.568 174.900 0.083 0.000 1.302 692 G CA -0.881 44.278 45.100 0.098 0.000 0.936 692 G HN 0.839 nan 8.290 nan 0.000 0.513 693 Q N -0.574 119.311 119.800 0.142 0.000 2.293 693 Q HA 0.615 4.955 4.340 0.000 0.000 0.261 693 Q C -0.919 175.179 176.000 0.165 0.000 0.960 693 Q CA -0.761 55.092 55.803 0.084 0.000 0.882 693 Q CB 2.401 31.241 28.738 0.169 0.000 1.275 693 Q HN 0.463 nan 8.270 nan 0.000 0.445 694 L N 3.628 124.824 121.223 -0.046 0.000 2.272 694 L HA 0.484 4.824 4.340 0.000 0.000 0.289 694 L C -1.791 175.029 176.870 -0.084 0.000 1.032 694 L CA 0.014 54.876 54.840 0.036 0.000 0.810 694 L CB 0.452 42.507 42.059 -0.006 0.000 1.205 694 L HN 0.567 nan 8.230 nan 0.000 0.422 695 W N 5.427 126.798 121.300 0.117 0.000 2.819 695 W HA 0.567 5.227 4.660 0.000 0.000 0.337 695 W C -1.053 175.577 176.519 0.185 0.000 1.077 695 W CA -0.703 56.735 57.345 0.155 0.000 1.226 695 W CB 1.702 31.281 29.460 0.199 0.000 1.419 695 W HN 0.279 nan 8.180 nan 0.000 0.502 696 L N 3.050 124.573 121.223 0.501 0.000 2.295 696 L HA 0.818 5.158 4.340 0.000 0.000 0.285 696 L C -0.365 176.821 176.870 0.525 0.000 1.035 696 L CA 0.146 55.255 54.840 0.449 0.000 0.806 696 L CB 1.314 43.576 42.059 0.339 0.000 1.214 696 L HN 0.372 nan 8.230 nan 0.000 0.426 697 T N 4.788 119.594 114.554 0.419 0.000 2.886 697 T HA 0.662 5.012 4.350 0.000 0.000 0.292 697 T C -0.880 174.007 174.700 0.311 0.000 1.012 697 T CA -0.478 61.819 62.100 0.328 0.000 0.982 697 T CB 1.643 70.637 68.868 0.210 0.000 1.018 697 T HN 0.619 nan 8.240 nan 0.000 0.451 698 V N 1.255 121.305 119.914 0.227 0.000 2.680 698 V HA 0.864 4.984 4.120 0.000 0.000 0.309 698 V C -0.773 175.386 176.094 0.109 0.000 1.052 698 V CA -1.119 61.277 62.300 0.160 0.000 0.908 698 V CB 1.903 33.745 31.823 0.030 0.000 1.001 698 V HN 0.841 nan 8.190 nan 0.000 0.431 699 R N 2.199 122.785 120.500 0.144 0.000 2.771 699 R HA 0.835 5.175 4.340 0.000 0.000 0.274 699 R C -1.716 174.663 176.300 0.131 0.000 0.987 699 R CA -0.835 55.360 56.100 0.158 0.000 0.908 699 R CB 2.758 33.103 30.300 0.074 0.000 1.213 699 R HN 0.657 nan 8.270 nan 0.000 0.468 700 V N 2.872 122.888 119.914 0.169 0.000 2.384 700 V HA 0.433 4.553 4.120 0.000 0.000 0.287 700 V C -0.455 175.672 176.094 0.056 0.000 1.020 700 V CA -0.658 61.710 62.300 0.115 0.000 0.850 700 V CB 1.736 33.644 31.823 0.141 0.000 0.987 700 V HN 0.442 nan 8.190 nan 0.000 0.436 701 V N 4.468 124.364 119.914 -0.029 0.000 2.680 701 V HA 0.479 4.599 4.120 0.000 0.000 0.309 701 V C -0.400 175.707 176.094 0.022 0.000 1.052 701 V CA -0.848 61.420 62.300 -0.053 0.000 0.908 701 V CB 1.988 33.678 31.823 -0.221 0.000 1.001 701 V HN 0.867 nan 8.190 nan 0.000 0.431 702 Q N 4.129 123.968 119.800 0.066 0.000 2.465 702 Q HA 0.277 4.617 4.340 0.000 0.000 0.237 702 Q C -1.838 174.183 176.000 0.035 0.000 1.051 702 Q CA -1.810 54.041 55.803 0.079 0.000 0.874 702 Q CB 1.899 30.712 28.738 0.125 0.000 1.207 702 Q HN 0.493 nan 8.270 nan 0.000 0.508 703 P HA -0.211 nan 4.420 nan 0.000 0.214 703 P C -0.514 176.790 177.300 0.005 0.000 1.163 703 P CA 1.394 64.506 63.100 0.022 0.000 0.889 703 P CB 0.285 32.006 31.700 0.034 0.000 0.790 704 N N -0.853 117.844 118.700 -0.005 0.000 2.492 704 N HA 0.442 5.182 4.740 0.000 0.000 0.289 704 N C -0.271 175.196 175.510 -0.072 0.000 1.133 704 N CA -0.645 52.388 53.050 -0.028 0.000 0.961 704 N CB 0.676 39.150 38.487 -0.022 0.000 1.186 704 N HN 0.015 nan 8.380 nan 0.000 0.493 705 A N 0.414 123.181 122.820 -0.088 0.000 2.346 705 A HA 0.547 4.867 4.320 0.000 0.000 0.252 705 A C 0.554 178.011 177.584 -0.213 0.000 1.089 705 A CA -0.141 51.802 52.037 -0.157 0.000 0.797 705 A CB 0.007 18.933 19.000 -0.123 0.000 1.047 705 A HN 0.735 nan 8.150 nan 0.000 0.494 706 T N -3.529 110.800 114.554 -0.375 0.000 2.773 706 T HA 0.619 4.969 4.350 0.000 0.000 0.278 706 T C 0.896 175.383 174.700 -0.356 0.000 1.011 706 T CA 0.056 61.900 62.100 -0.427 0.000 1.014 706 T CB 1.116 69.446 68.868 -0.897 0.000 1.293 706 T HN 1.365 nan 8.240 nan 0.000 0.554 707 A N -0.167 122.536 122.820 -0.195 0.000 2.121 707 A HA 0.138 4.458 4.320 0.000 0.000 0.218 707 A C 1.484 179.166 177.584 0.163 0.000 1.154 707 A CA 0.887 52.961 52.037 0.062 0.000 0.679 707 A CB -0.827 18.317 19.000 0.239 0.000 0.795 707 A HN 0.905 nan 8.150 nan 0.000 0.458 708 W N -0.971 120.376 121.300 0.077 0.000 2.518 708 W HA 0.430 5.090 4.660 0.000 0.000 0.352 708 W C -0.186 176.293 176.519 -0.068 0.000 0.952 708 W CA 0.405 57.757 57.345 0.012 0.000 1.624 708 W CB -1.170 28.283 29.460 -0.011 0.000 1.135 708 W HN 0.403 nan 8.180 nan 0.000 0.540 709 S N 0.231 115.435 115.700 -0.827 0.000 2.556 709 S HA 0.449 4.919 4.470 0.000 0.000 0.271 709 S C -0.559 173.774 174.600 -0.444 0.000 1.135 709 S CA -0.616 57.133 58.200 -0.751 0.000 0.858 709 S CB 2.814 65.175 63.200 -1.399 0.000 1.114 709 S HN 0.063 nan 8.310 nan 0.000 0.468 710 E N 0.872 120.929 120.200 -0.238 0.000 2.342 710 E HA 0.533 4.883 4.350 0.000 0.000 0.257 710 E C 0.398 176.950 176.600 -0.079 0.000 1.150 710 E CA -0.560 55.773 56.400 -0.111 0.000 0.926 710 E CB 1.135 30.821 29.700 -0.023 0.000 1.074 710 E HN 0.881 nan 8.360 nan 0.000 0.449 711 A N -0.124 122.668 122.820 -0.047 0.000 2.407 711 A HA 0.443 4.763 4.320 0.000 0.000 0.248 711 A C 1.006 178.597 177.584 0.012 0.000 1.082 711 A CA 0.554 52.577 52.037 -0.024 0.000 0.785 711 A CB -0.151 18.837 19.000 -0.019 0.000 1.020 711 A HN 0.745 nan 8.150 nan 0.000 0.489 712 G N 0.326 109.139 108.800 0.022 0.000 2.160 712 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 712 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 712 G C 0.065 174.995 174.900 0.050 0.000 1.022 712 G CA 0.714 45.824 45.100 0.017 0.000 0.741 712 G HN 1.676 nan 8.290 nan 0.000 0.508 713 H N 0.087 119.146 119.070 -0.018 0.000 2.652 713 H HA 0.542 5.098 4.556 0.000 0.000 0.349 713 H C 0.443 175.815 175.328 0.073 0.000 1.099 713 H CA -0.686 55.377 56.048 0.026 0.000 1.417 713 H CB 0.372 30.139 29.762 0.009 0.000 1.457 713 H HN 0.047 nan 8.280 nan 0.000 0.568 714 I N 4.588 124.853 120.570 -0.507 0.000 2.325 714 I HA 0.037 4.207 4.170 0.000 0.000 0.291 714 I C 1.073 177.037 176.117 -0.255 0.000 1.019 714 I CA -0.027 61.119 61.300 -0.256 0.000 1.302 714 I CB 0.779 38.703 38.000 -0.126 0.000 1.401 714 I HN 0.839 nan 8.210 nan 0.000 0.485 715 S N 3.796 119.564 115.700 0.114 0.000 2.526 715 S HA 0.664 5.134 4.470 0.000 0.000 0.220 715 S C 0.488 175.343 174.600 0.424 0.000 1.017 715 S CA 0.116 58.514 58.200 0.329 0.000 0.930 715 S CB 0.636 64.140 63.200 0.507 0.000 0.856 715 S HN 0.753 nan 8.310 nan 0.000 0.497 716 A N 0.611 123.717 122.820 0.477 0.000 2.605 716 A HA 0.676 4.996 4.320 0.000 0.000 0.294 716 A C -1.732 176.215 177.584 0.605 0.000 1.062 716 A CA -0.902 51.406 52.037 0.452 0.000 0.682 716 A CB 0.442 19.757 19.000 0.526 0.000 1.278 716 A HN 0.918 nan 8.150 nan 0.000 0.410 717 W N -0.012 121.459 121.300 0.285 0.000 3.005 717 W HA 0.809 5.469 4.660 0.000 0.000 0.343 717 W C -1.185 175.374 176.519 0.067 0.000 1.243 717 W CA -0.642 56.757 57.345 0.091 0.000 1.186 717 W CB 1.201 30.658 29.460 -0.005 0.000 1.453 717 W HN 1.105 nan 8.180 nan 0.000 0.575 718 Q N 1.710 121.568 119.800 0.096 0.000 2.574 718 Q HA 0.302 4.642 4.340 0.000 0.000 0.265 718 Q C -1.560 174.235 176.000 -0.342 0.000 0.975 718 Q CA -0.575 55.102 55.803 -0.210 0.000 0.923 718 Q CB 1.975 30.426 28.738 -0.479 0.000 1.518 718 Q HN 0.674 nan 8.270 nan 0.000 0.401 719 Q N 2.611 122.185 119.800 -0.378 0.000 2.458 719 Q HA 0.758 5.098 4.340 0.000 0.000 0.282 719 Q C -1.222 174.674 176.000 -0.173 0.000 1.106 719 Q CA -0.664 55.065 55.803 -0.124 0.000 0.814 719 Q CB 2.028 30.878 28.738 0.187 0.000 1.425 719 Q HN 0.633 nan 8.270 nan 0.000 0.437 720 W N 1.196 122.700 121.300 0.339 0.000 3.127 720 W HA 0.436 5.096 4.660 0.000 0.000 0.330 720 W C -0.610 175.925 176.519 0.027 0.000 1.187 720 W CA -0.800 56.663 57.345 0.197 0.000 1.198 720 W CB 2.215 31.723 29.460 0.080 0.000 1.408 720 W HN 0.680 nan 8.180 nan 0.000 0.529 721 R N 2.599 122.999 120.500 -0.167 0.000 2.202 721 R HA 0.291 4.631 4.340 0.000 0.000 0.334 721 R C 0.762 176.838 176.300 -0.374 0.000 1.036 721 R CA -0.141 55.452 56.100 -0.846 0.000 0.878 721 R CB 0.612 30.043 30.300 -1.449 0.000 1.067 721 R HN 0.607 nan 8.270 nan 0.000 0.457 722 L N 2.770 123.824 121.223 -0.282 0.000 2.049 722 L HA 0.178 4.518 4.340 0.000 0.000 0.203 722 L C 0.896 177.666 176.870 -0.168 0.000 1.074 722 L CA 1.019 55.765 54.840 -0.156 0.000 0.749 722 L CB -0.162 41.847 42.059 -0.082 0.000 0.907 722 L HN 0.665 nan 8.230 nan 0.000 0.439 723 A N -0.808 121.896 122.820 -0.194 0.000 2.588 723 A HA 0.622 4.942 4.320 0.000 0.000 0.290 723 A C -1.420 176.074 177.584 -0.149 0.000 1.136 723 A CA -0.438 51.514 52.037 -0.142 0.000 0.681 723 A CB 1.855 20.806 19.000 -0.081 0.000 1.282 723 A HN 0.056 nan 8.150 nan 0.000 0.421 724 E N 0.409 120.552 120.200 -0.095 0.000 2.275 724 E HA 0.426 4.776 4.350 0.000 0.000 0.270 724 E C -1.676 174.908 176.600 -0.026 0.000 0.882 724 E CA -0.641 55.721 56.400 -0.064 0.000 0.758 724 E CB 1.274 30.933 29.700 -0.068 0.000 1.195 724 E HN 0.544 nan 8.360 nan 0.000 0.419 725 N N 4.593 123.292 118.700 -0.002 0.000 2.564 725 N HA 0.295 5.035 4.740 0.000 0.000 0.248 725 N C -0.658 174.864 175.510 0.021 0.000 0.986 725 N CA -0.317 52.739 53.050 0.010 0.000 0.921 725 N CB 1.045 39.543 38.487 0.018 0.000 1.136 725 N HN 0.476 nan 8.380 nan 0.000 0.509 726 L N 0.674 121.908 121.223 0.018 0.000 2.456 726 L HA 0.131 4.471 4.340 0.000 0.000 0.272 726 L C 1.199 178.089 176.870 0.033 0.000 1.189 726 L CA 0.112 54.969 54.840 0.028 0.000 0.846 726 L CB 0.544 42.618 42.059 0.025 0.000 1.111 726 L HN 0.331 nan 8.230 nan 0.000 0.475 727 S N 1.394 117.120 115.700 0.042 0.000 2.465 727 S HA 0.278 4.748 4.470 0.000 0.000 0.279 727 S C 0.558 175.181 174.600 0.038 0.000 1.201 727 S CA -0.898 57.328 58.200 0.043 0.000 1.053 727 S CB 0.811 64.042 63.200 0.052 0.000 0.953 727 S HN 0.437 nan 8.310 nan 0.000 0.488 728 V N 2.574 122.507 119.914 0.032 0.000 3.376 728 V HA 0.299 4.419 4.120 0.000 0.000 0.313 728 V C 0.870 176.981 176.094 0.028 0.000 1.393 728 V CA -0.014 62.303 62.300 0.028 0.000 1.125 728 V CB -1.063 30.774 31.823 0.023 0.000 1.037 728 V HN 0.838 nan 8.190 nan 0.000 0.440 729 T N 0.114 114.687 114.554 0.031 0.000 2.902 729 T HA 0.755 5.105 4.350 0.000 0.000 0.280 729 T C -0.515 174.203 174.700 0.029 0.000 0.992 729 T CA -0.496 61.621 62.100 0.029 0.000 1.015 729 T CB 1.904 70.789 68.868 0.028 0.000 1.044 729 T HN 0.210 nan 8.240 nan 0.000 0.520 730 L N 1.813 123.051 121.223 0.025 0.000 2.334 730 L HA 0.599 4.939 4.340 0.000 0.000 0.273 730 L C -1.969 174.912 176.870 0.019 0.000 1.013 730 L CA -2.125 52.728 54.840 0.022 0.000 0.816 730 L CB 0.525 42.594 42.059 0.017 0.000 1.278 730 L HN 0.593 nan 8.230 nan 0.000 0.431 731 P HA 0.336 nan 4.420 nan 0.000 0.271 731 P C -0.717 176.583 177.300 -0.001 0.000 1.216 731 P CA -0.410 62.697 63.100 0.011 0.000 0.771 731 P CB 0.963 32.670 31.700 0.011 0.000 0.864 732 A N 2.651 125.467 122.820 -0.006 0.000 2.332 732 A HA 0.554 4.874 4.320 0.000 0.000 0.258 732 A C 0.573 178.124 177.584 -0.055 0.000 1.087 732 A CA -0.193 51.832 52.037 -0.019 0.000 0.802 732 A CB -0.157 18.838 19.000 -0.009 0.000 1.042 732 A HN 0.738 nan 8.150 nan 0.000 0.489 733 A N 1.178 123.957 122.820 -0.068 0.000 2.520 733 A HA 0.487 4.807 4.320 0.000 0.000 0.235 733 A C 0.788 178.204 177.584 -0.280 0.000 1.065 733 A CA 0.475 52.441 52.037 -0.119 0.000 0.764 733 A CB -0.424 18.531 19.000 -0.076 0.000 1.002 733 A HN 1.512 nan 8.150 nan 0.000 0.502 734 S N 0.722 116.262 115.700 -0.265 0.000 2.608 734 S HA 0.493 4.963 4.470 0.000 0.000 0.291 734 S C 0.232 174.594 174.600 -0.398 0.000 1.146 734 S CA -0.727 57.267 58.200 -0.344 0.000 1.043 734 S CB 0.831 63.949 63.200 -0.136 0.000 1.037 734 S HN 0.668 nan 8.310 nan 0.000 0.520 735 H N 0.203 119.284 119.070 0.017 0.000 2.539 735 H HA 0.557 5.113 4.556 0.000 0.000 0.269 735 H C 0.586 175.921 175.328 0.013 0.000 0.980 735 H CA 0.554 56.610 56.048 0.013 0.000 1.152 735 H CB -0.093 29.676 29.762 0.011 0.000 1.407 735 H HN 0.775 nan 8.280 nan 0.000 0.564 736 A N 0.951 123.803 122.820 0.054 0.000 2.599 736 A HA 0.618 4.938 4.320 0.000 0.000 0.290 736 A C -1.061 176.539 177.584 0.028 0.000 1.101 736 A CA -0.777 51.291 52.037 0.051 0.000 0.674 736 A CB 1.471 20.512 19.000 0.068 0.000 1.277 736 A HN 0.215 nan 8.150 nan 0.000 0.419 737 I N -1.549 119.042 120.570 0.036 0.000 2.865 737 I HA 0.790 4.960 4.170 0.000 0.000 0.302 737 I C -2.874 173.280 176.117 0.062 0.000 1.140 737 I CA -2.582 58.737 61.300 0.032 0.000 1.021 737 I CB 2.403 40.410 38.000 0.013 0.000 1.233 737 I HN 0.392 nan 8.210 nan 0.000 0.427 738 P HA 0.014 nan 4.420 nan 0.000 0.269 738 P C -1.327 176.061 177.300 0.147 0.000 1.211 738 P CA 0.382 63.539 63.100 0.096 0.000 0.781 738 P CB 0.191 31.905 31.700 0.023 0.000 0.877 739 H N 1.895 120.994 119.070 0.048 0.000 2.587 739 H HA 0.370 4.926 4.556 0.000 0.000 0.325 739 H C -1.015 174.340 175.328 0.045 0.000 1.012 739 H CA -1.110 54.960 56.048 0.036 0.000 1.213 739 H CB 0.955 30.740 29.762 0.038 0.000 1.431 739 H HN 0.201 nan 8.280 nan 0.000 0.492 740 L N 5.071 126.170 121.223 -0.206 0.000 2.326 740 L HA 0.315 4.655 4.340 0.000 0.000 0.278 740 L C -0.737 175.926 176.870 -0.346 0.000 1.092 740 L CA 0.277 54.972 54.840 -0.242 0.000 0.810 740 L CB 1.386 43.369 42.059 -0.127 0.000 1.153 740 L HN 0.644 nan 8.230 nan 0.000 0.439 741 T N 3.025 117.467 114.554 -0.187 0.000 2.921 741 T HA 0.428 4.778 4.350 0.000 0.000 0.297 741 T C -0.634 174.115 174.700 0.081 0.000 1.013 741 T CA -0.460 61.586 62.100 -0.091 0.000 0.990 741 T CB 1.390 70.187 68.868 -0.118 0.000 1.023 741 T HN 0.610 nan 8.240 nan 0.000 0.447 742 T N 2.591 117.212 114.554 0.112 0.000 2.821 742 T HA 0.487 4.837 4.350 0.000 0.000 0.307 742 T C 0.605 175.367 174.700 0.104 0.000 1.034 742 T CA -0.479 61.746 62.100 0.208 0.000 0.953 742 T CB 1.029 70.049 68.868 0.252 0.000 0.968 742 T HN 0.636 nan 8.240 nan 0.000 0.462 743 S N 2.159 117.895 115.700 0.059 0.000 2.598 743 S HA 0.251 4.721 4.470 0.000 0.000 0.267 743 S C 1.291 175.870 174.600 -0.036 0.000 1.189 743 S CA -0.333 57.871 58.200 0.006 0.000 1.010 743 S CB 0.995 64.192 63.200 -0.004 0.000 1.084 743 S HN 0.779 nan 8.310 nan 0.000 0.541 744 E N -0.987 119.184 120.200 -0.048 0.000 2.364 744 E HA 0.065 4.415 4.350 0.000 0.000 0.196 744 E C 1.398 177.930 176.600 -0.114 0.000 0.990 744 E CA 0.123 56.483 56.400 -0.067 0.000 0.886 744 E CB -0.015 29.663 29.700 -0.037 0.000 0.866 744 E HN 0.578 nan 8.360 nan 0.000 0.493 745 M N 1.252 120.791 119.600 -0.101 0.000 2.501 745 M HA 0.161 4.641 4.480 0.000 0.000 0.261 745 M C -0.316 175.894 176.300 -0.150 0.000 1.129 745 M CA 0.790 56.031 55.300 -0.097 0.000 1.126 745 M CB -0.256 32.319 32.600 -0.042 0.000 1.359 745 M HN 0.112 nan 8.290 nan 0.000 0.471 746 D N -2.095 118.183 120.400 -0.204 0.000 2.879 746 D HA 0.389 5.029 4.640 0.000 0.000 0.346 746 D C -0.975 175.178 176.300 -0.245 0.000 1.390 746 D CA -0.701 53.142 54.000 -0.262 0.000 0.838 746 D CB 0.635 41.418 40.800 -0.029 0.000 1.416 746 D HN -0.039 nan 8.370 nan 0.000 0.493 750 E N 4.341 124.685 120.200 0.240 0.000 2.277 750 E HA 0.881 5.231 4.350 0.000 0.000 0.266 750 E C -1.681 175.091 176.600 0.288 0.000 0.901 750 E CA -0.834 55.713 56.400 0.245 0.000 0.782 750 E CB 2.925 32.703 29.700 0.130 0.000 1.228 750 E HN 0.554 nan 8.360 nan 0.000 0.424 751 L N 3.798 125.179 121.223 0.264 0.000 2.929 751 L HA 0.461 4.801 4.340 0.000 0.000 0.246 751 L C -0.147 176.804 176.870 0.136 0.000 0.960 751 L CA 0.720 55.696 54.840 0.226 0.000 1.056 751 L CB 0.801 43.046 42.059 0.310 0.000 1.437 751 L HN 0.757 nan 8.230 nan 0.000 0.514 752 G N 3.806 112.656 108.800 0.082 0.000 2.527 752 G HA2 -0.385 3.575 3.960 0.000 0.000 0.268 752 G HA3 -0.385 3.575 3.960 0.000 0.000 0.268 752 G C 0.565 175.465 174.900 0.000 0.000 1.175 752 G CA 0.475 45.597 45.100 0.038 0.000 0.962 752 G HN 1.058 nan 8.290 nan 0.000 0.560 753 N N 1.012 119.697 118.700 -0.025 0.000 2.396 753 N HA 0.006 4.746 4.740 0.000 0.000 0.180 753 N C 0.834 176.282 175.510 -0.103 0.000 1.028 753 N CA 1.448 54.464 53.050 -0.057 0.000 0.893 753 N CB -0.155 38.301 38.487 -0.052 0.000 0.967 753 N HN 0.777 nan 8.380 nan 0.000 0.440 754 K N 0.384 120.703 120.400 -0.135 0.000 2.270 754 K HA 0.317 4.637 4.320 0.000 0.000 0.276 754 K C -0.136 176.247 176.600 -0.362 0.000 1.023 754 K CA -0.077 56.004 56.287 -0.343 0.000 0.955 754 K CB 1.003 33.234 32.500 -0.447 0.000 0.975 754 K HN 0.047 nan 8.250 nan 0.000 0.471 755 R N 1.661 121.823 120.500 -0.564 0.000 2.604 755 R HA 0.355 4.695 4.340 0.000 0.000 0.270 755 R C -1.700 174.469 176.300 -0.219 0.000 1.052 755 R CA -0.647 55.331 56.100 -0.203 0.000 0.902 755 R CB 1.348 31.595 30.300 -0.088 0.000 1.233 755 R HN 0.598 nan 8.270 nan 0.000 0.455 756 W N 3.037 124.443 121.300 0.177 0.000 2.883 756 W HA 0.344 5.004 4.660 0.000 0.000 0.335 756 W C -0.746 175.852 176.519 0.132 0.000 1.083 756 W CA -0.555 56.851 57.345 0.101 0.000 1.233 756 W CB 2.259 31.749 29.460 0.050 0.000 1.412 756 W HN 0.428 nan 8.180 nan 0.000 0.490 757 Q N 2.650 122.584 119.800 0.223 0.000 2.337 757 Q HA 0.481 4.821 4.340 0.000 0.000 0.270 757 Q C -2.021 173.905 176.000 -0.124 0.000 1.043 757 Q CA -0.504 55.411 55.803 0.187 0.000 0.794 757 Q CB 1.807 30.721 28.738 0.294 0.000 1.281 757 Q HN 0.372 nan 8.270 nan 0.000 0.446 758 F N 2.782 122.825 119.950 0.155 0.000 2.426 758 F HA 0.316 4.843 4.527 0.000 0.000 0.348 758 F C 0.624 176.444 175.800 0.034 0.000 1.124 758 F CA -0.813 57.244 58.000 0.096 0.000 1.008 758 F CB 1.379 40.455 39.000 0.126 0.000 1.139 758 F HN 0.518 nan 8.300 nan 0.000 0.452 759 N N 3.477 122.276 118.700 0.164 0.000 2.497 759 N HA 0.076 4.816 4.740 0.000 0.000 0.268 759 N C 0.885 176.395 175.510 0.001 0.000 1.171 759 N CA 0.048 53.139 53.050 0.069 0.000 0.948 759 N CB 0.794 39.332 38.487 0.085 0.000 1.069 759 N HN 0.708 nan 8.380 nan 0.000 0.460 760 R N 1.361 121.783 120.500 -0.130 0.000 2.236 760 R HA -0.029 4.311 4.340 0.000 0.000 0.208 760 R C 1.456 177.680 176.300 -0.127 0.000 1.036 760 R CA 0.963 56.928 56.100 -0.225 0.000 1.001 760 R CB 0.242 30.292 30.300 -0.416 0.000 0.896 760 R HN 0.698 nan 8.270 nan 0.000 0.464 761 Q N -0.481 119.279 119.800 -0.067 0.000 2.373 761 Q HA 0.040 4.380 4.340 0.000 0.000 0.210 761 Q C 1.740 177.724 176.000 -0.028 0.000 0.913 761 Q CA 1.212 56.986 55.803 -0.048 0.000 0.911 761 Q CB 0.242 28.966 28.738 -0.022 0.000 1.040 761 Q HN 0.223 nan 8.270 nan 0.000 0.521 762 S N 0.297 116.006 115.700 0.014 0.000 2.439 762 S HA 0.227 4.697 4.470 0.000 0.000 0.224 762 S C 1.599 176.114 174.600 -0.142 0.000 1.029 762 S CA 0.792 59.030 58.200 0.064 0.000 0.946 762 S CB -0.079 63.284 63.200 0.270 0.000 0.797 762 S HN 0.585 nan 8.310 nan 0.000 0.504 763 G N 0.432 109.164 108.800 -0.113 0.000 2.143 763 G HA2 -0.223 3.737 3.960 0.000 0.000 0.248 763 G HA3 -0.223 3.737 3.960 0.000 0.000 0.248 763 G C -0.106 174.652 174.900 -0.236 0.000 0.991 763 G CA 0.364 45.362 45.100 -0.170 0.000 0.689 763 G HN 0.534 nan 8.290 nan 0.000 0.522 764 F N -1.363 118.772 119.950 0.309 0.000 2.575 764 F HA 0.680 5.207 4.527 0.000 0.000 0.330 764 F C 0.463 176.337 175.800 0.123 0.000 1.056 764 F CA -1.470 56.690 58.000 0.265 0.000 0.964 764 F CB 1.383 40.484 39.000 0.168 0.000 1.258 764 F HN 0.011 nan 8.300 nan 0.000 0.484 765 L N 1.553 122.903 121.223 0.212 0.000 2.456 765 L HA 0.211 4.551 4.340 0.000 0.000 0.277 765 L C 0.557 177.345 176.870 -0.136 0.000 1.124 765 L CA 0.785 55.365 54.840 -0.434 0.000 0.880 765 L CB 0.249 42.067 42.059 -0.402 0.000 1.192 765 L HN 0.635 nan 8.230 nan 0.000 0.463 766 S N 2.659 118.265 115.700 -0.158 0.000 2.456 766 S HA 0.145 4.615 4.470 0.000 0.000 0.224 766 S C 0.341 174.847 174.600 -0.156 0.000 1.035 766 S CA 0.328 58.487 58.200 -0.068 0.000 0.940 766 S CB 0.040 63.241 63.200 0.001 0.000 0.799 766 S HN 0.741 nan 8.310 nan 0.000 0.508 767 Q N -0.148 119.506 119.800 -0.242 0.000 2.633 767 Q HA 0.626 4.966 4.340 0.000 0.000 0.289 767 Q C -1.655 174.038 176.000 -0.512 0.000 0.940 767 Q CA -0.606 54.932 55.803 -0.441 0.000 0.785 767 Q CB 1.349 29.711 28.738 -0.627 0.000 1.467 767 Q HN 0.262 nan 8.270 nan 0.000 0.401 768 M N 0.326 119.482 119.600 -0.739 0.000 2.465 768 M HA 0.783 5.263 4.480 0.000 0.000 0.284 768 M C -1.962 173.920 176.300 -0.697 0.000 1.212 768 M CA -0.288 54.659 55.300 -0.588 0.000 0.910 768 M CB 2.000 34.288 32.600 -0.521 0.000 1.725 768 M HN 0.510 nan 8.290 nan 0.000 0.477 769 W N 3.272 124.346 121.300 -0.376 0.000 2.844 769 W HA 0.693 5.353 4.660 0.000 0.000 0.340 769 W C -1.525 174.787 176.519 -0.345 0.000 1.093 769 W CA -0.897 56.278 57.345 -0.283 0.000 1.212 769 W CB 2.002 31.331 29.460 -0.219 0.000 1.422 769 W HN 0.578 nan 8.180 nan 0.000 0.515 770 I N 2.140 122.716 120.570 0.011 0.000 2.418 770 I HA 0.452 4.622 4.170 0.000 0.000 0.287 770 I C 0.828 176.944 176.117 -0.002 0.000 1.008 770 I CA 0.250 61.507 61.300 -0.071 0.000 1.104 770 I CB 1.270 39.200 38.000 -0.116 0.000 1.264 770 I HN 0.722 nan 8.210 nan 0.000 0.438 771 G N 5.595 114.382 108.800 -0.022 0.000 2.583 771 G HA2 -0.302 3.658 3.960 0.000 0.000 0.292 771 G HA3 -0.302 3.658 3.960 0.000 0.000 0.292 771 G C 0.322 175.244 174.900 0.036 0.000 1.203 771 G CA 0.518 45.611 45.100 -0.011 0.000 0.987 771 G HN 0.787 nan 8.290 nan 0.000 0.554 772 D N 0.746 121.181 120.400 0.058 0.000 2.402 772 D HA 0.231 4.871 4.640 0.000 0.000 0.216 772 D C 0.585 177.025 176.300 0.233 0.000 1.128 772 D CA 0.134 54.202 54.000 0.114 0.000 0.833 772 D CB 0.376 41.199 40.800 0.037 0.000 0.971 772 D HN 0.440 nan 8.370 nan 0.000 0.503 773 K N 0.995 121.502 120.400 0.178 0.000 2.211 773 K HA 0.295 4.615 4.320 0.000 0.000 0.275 773 K C -0.070 176.503 176.600 -0.045 0.000 1.024 773 K CA -0.505 55.826 56.287 0.073 0.000 0.887 773 K CB 1.851 34.350 32.500 -0.001 0.000 1.084 773 K HN -0.155 nan 8.250 nan 0.000 0.463 774 K N 1.812 122.091 120.400 -0.203 0.000 2.258 774 K HA 0.048 4.368 4.320 0.000 0.000 0.264 774 K C 0.758 177.150 176.600 -0.348 0.000 1.007 774 K CA -0.156 55.793 56.287 -0.563 0.000 0.941 774 K CB 0.725 32.944 32.500 -0.469 0.000 0.966 774 K HN 0.434 nan 8.250 nan 0.000 0.480 775 Q N 0.985 120.553 119.800 -0.387 0.000 2.316 775 Q HA 0.214 4.554 4.340 0.000 0.000 0.235 775 Q C -0.135 175.781 176.000 -0.140 0.000 0.863 775 Q CA 0.415 56.114 55.803 -0.174 0.000 0.939 775 Q CB 0.589 29.280 28.738 -0.079 0.000 1.108 775 Q HN 0.465 nan 8.270 nan 0.000 0.522 776 L N 0.750 121.838 121.223 -0.224 0.000 2.362 776 L HA 0.426 4.766 4.340 0.000 0.000 0.271 776 L C 0.840 177.585 176.870 -0.208 0.000 1.002 776 L CA -0.462 54.268 54.840 -0.183 0.000 0.818 776 L CB 1.679 43.636 42.059 -0.170 0.000 1.298 776 L HN -0.119 nan 8.230 nan 0.000 0.420 777 L N -0.546 120.545 121.223 -0.220 0.000 2.513 777 L HA 0.275 4.615 4.340 0.000 0.000 0.222 777 L C 0.429 177.186 176.870 -0.188 0.000 1.096 777 L CA 0.561 55.276 54.840 -0.208 0.000 0.857 777 L CB 0.052 41.974 42.059 -0.229 0.000 1.026 777 L HN 0.577 nan 8.230 nan 0.000 0.469 778 T N 0.604 115.033 114.554 -0.210 0.000 2.912 778 T HA 0.428 4.778 4.350 0.000 0.000 0.299 778 T C -2.655 171.989 174.700 -0.092 0.000 1.052 778 T CA -1.166 60.853 62.100 -0.135 0.000 0.996 778 T CB 2.631 71.396 68.868 -0.171 0.000 1.070 778 T HN -0.225 nan 8.240 nan 0.000 0.465 779 P HA 0.229 nan 4.420 nan 0.000 0.272 779 P C -0.668 176.606 177.300 -0.043 0.000 1.223 779 P CA -0.734 62.348 63.100 -0.031 0.000 0.784 779 P CB 0.445 32.152 31.700 0.013 0.000 0.923 780 L N 3.926 125.161 121.223 0.020 0.000 2.361 780 L HA 0.290 4.630 4.340 0.000 0.000 0.278 780 L C 0.579 177.391 176.870 -0.096 0.000 1.113 780 L CA 0.587 55.460 54.840 0.055 0.000 0.849 780 L CB -0.542 41.660 42.059 0.238 0.000 1.155 780 L HN 0.465 nan 8.230 nan 0.000 0.452 781 R N 2.098 122.485 120.500 -0.187 0.000 2.734 781 R HA 0.488 4.828 4.340 0.000 0.000 0.271 781 R C -1.215 174.964 176.300 -0.203 0.000 1.021 781 R CA -0.970 54.901 56.100 -0.381 0.000 0.893 781 R CB 0.410 30.132 30.300 -0.963 0.000 1.244 781 R HN 0.436 nan 8.270 nan 0.000 0.464 782 D N 0.985 121.309 120.400 -0.126 0.000 2.423 782 D HA 0.094 4.734 4.640 0.000 0.000 0.238 782 D C -0.444 175.494 176.300 -0.604 0.000 1.142 782 D CA 0.454 54.240 54.000 -0.357 0.000 0.884 782 D CB 0.636 41.190 40.800 -0.411 0.000 1.199 782 D HN 0.353 nan 8.370 nan 0.000 0.438 783 Q N 1.135 120.357 119.800 -0.963 0.000 2.271 783 Q HA 0.320 4.660 4.340 0.000 0.000 0.268 783 Q C -1.224 174.047 176.000 -1.214 0.000 1.021 783 Q CA -0.580 54.706 55.803 -0.861 0.000 0.802 783 Q CB 0.793 29.252 28.738 -0.465 0.000 1.282 783 Q HN 0.547 nan 8.270 nan 0.000 0.431 784 F N 0.738 120.346 119.950 -0.570 0.000 2.706 784 F HA 0.198 4.725 4.527 0.000 0.000 0.313 784 F C 0.773 176.188 175.800 -0.641 0.000 1.096 784 F CA -0.124 57.447 58.000 -0.715 0.000 1.219 784 F CB 1.426 39.759 39.000 -1.111 0.000 1.051 784 F HN 0.452 nan 8.300 nan 0.000 0.568 785 T N -0.982 113.313 114.554 -0.432 0.000 2.858 785 T HA 0.764 5.114 4.350 0.000 0.000 0.285 785 T C -0.587 173.887 174.700 -0.377 0.000 1.052 785 T CA -0.983 60.787 62.100 -0.550 0.000 1.009 785 T CB 2.758 71.255 68.868 -0.618 0.000 1.241 785 T HN 0.227 nan 8.240 nan 0.000 0.542 786 R N -0.410 119.904 120.500 -0.310 0.000 2.774 786 R HA 0.751 5.091 4.340 0.000 0.000 0.272 786 R C -1.091 175.274 176.300 0.110 0.000 1.000 786 R CA -1.175 54.871 56.100 -0.089 0.000 0.906 786 R CB 1.504 31.757 30.300 -0.078 0.000 1.227 786 R HN 0.846 nan 8.270 nan 0.000 0.468 787 A N 3.260 126.126 122.820 0.077 0.000 2.444 787 A HA 0.329 4.649 4.320 0.000 0.000 0.287 787 A C -2.060 175.599 177.584 0.125 0.000 1.195 787 A CA -1.458 50.626 52.037 0.079 0.000 0.858 787 A CB -0.456 18.544 19.000 0.000 0.000 1.117 787 A HN 0.519 nan 8.150 nan 0.000 0.521 788 P HA 0.017 nan 4.420 nan 0.000 0.263 788 P C -0.275 177.143 177.300 0.198 0.000 1.168 788 P CA 0.586 63.846 63.100 0.267 0.000 0.759 788 P CB 0.294 32.173 31.700 0.297 0.000 0.782 789 L N 2.395 123.706 121.223 0.147 0.000 2.416 789 L HA 0.226 4.566 4.340 0.000 0.000 0.262 789 L C 1.755 178.649 176.870 0.040 0.000 1.093 789 L CA -0.623 54.244 54.840 0.044 0.000 0.801 789 L CB 0.251 42.271 42.059 -0.066 0.000 1.191 789 L HN 0.311 nan 8.230 nan 0.000 0.459 790 D N 0.580 120.952 120.400 -0.046 0.000 2.116 790 D HA -0.182 4.458 4.640 0.000 0.000 0.193 790 D C 1.587 177.871 176.300 -0.028 0.000 0.998 790 D CA 1.582 55.518 54.000 -0.107 0.000 0.836 790 D CB 0.059 40.754 40.800 -0.176 0.000 0.951 790 D HN 0.502 nan 8.370 nan 0.000 0.449 791 N N 1.187 119.870 118.700 -0.029 0.000 2.149 791 N HA -0.133 4.607 4.740 0.000 0.000 0.188 791 N C 1.230 176.771 175.510 0.051 0.000 1.019 791 N CA 0.868 53.919 53.050 0.002 0.000 0.857 791 N CB -0.330 38.136 38.487 -0.035 0.000 0.997 791 N HN 0.285 nan 8.380 nan 0.000 0.426 792 D N 0.308 120.755 120.400 0.077 0.000 2.224 792 D HA 0.006 4.646 4.640 0.000 0.000 0.205 792 D C 2.001 178.368 176.300 0.112 0.000 0.965 792 D CA 0.381 54.466 54.000 0.141 0.000 0.852 792 D CB 0.022 40.979 40.800 0.262 0.000 0.947 792 D HN 0.333 nan 8.370 nan 0.000 0.494 793 I N 0.472 121.091 120.570 0.082 0.000 2.400 793 I HA -0.006 4.164 4.170 0.000 0.000 0.248 793 I C 1.107 177.237 176.117 0.021 0.000 1.109 793 I CA 0.451 61.781 61.300 0.050 0.000 1.425 793 I CB -0.276 37.734 38.000 0.017 0.000 1.094 793 I HN -0.018 nan 8.210 nan 0.000 0.425 794 G N 2.831 111.653 108.800 0.037 0.000 2.247 794 G HA2 -0.124 3.836 3.960 0.000 0.000 0.260 794 G HA3 -0.124 3.836 3.960 0.000 0.000 0.260 794 G C -0.146 174.789 174.900 0.059 0.000 0.852 794 G CA 0.580 45.718 45.100 0.064 0.000 1.281 794 G HN 0.442 nan 8.290 nan 0.000 0.378 795 V N -1.041 118.904 119.914 0.053 0.000 2.841 795 V HA 0.903 5.023 4.120 0.000 0.000 0.310 795 V C 0.628 176.613 176.094 -0.182 0.000 1.090 795 V CA 0.194 62.463 62.300 -0.051 0.000 0.930 795 V CB 1.743 33.508 31.823 -0.096 0.000 1.014 795 V HN 1.098 nan 8.190 nan 0.000 0.425 796 S N 1.370 116.780 115.700 -0.483 0.000 2.506 796 S HA 0.364 4.834 4.470 0.000 0.000 0.219 796 S C 0.281 174.189 174.600 -1.152 0.000 1.031 796 S CA -0.116 57.302 58.200 -1.303 0.000 0.911 796 S CB -0.079 62.254 63.200 -1.444 0.000 0.812 796 S HN 0.858 nan 8.310 nan 0.000 0.497 797 E N 0.784 120.610 120.200 -0.622 0.000 2.241 797 E HA 0.586 4.936 4.350 0.000 0.000 0.263 797 E C 0.354 176.788 176.600 -0.277 0.000 0.882 797 E CA -0.286 55.851 56.400 -0.438 0.000 0.769 797 E CB 1.860 31.331 29.700 -0.381 0.000 1.185 797 E HN 0.221 nan 8.360 nan 0.000 0.415 798 A N 2.817 125.512 122.820 -0.208 0.000 1.971 798 A HA -0.267 4.053 4.320 0.000 0.000 0.222 798 A C 2.003 179.529 177.584 -0.096 0.000 1.182 798 A CA 2.609 54.578 52.037 -0.114 0.000 0.649 798 A CB -0.799 18.164 19.000 -0.063 0.000 0.818 798 A HN 0.653 nan 8.150 nan 0.000 0.458 799 T N -0.165 114.318 114.554 -0.118 0.000 2.708 799 T HA -0.066 4.284 4.350 0.000 0.000 0.266 799 T C 0.961 175.603 174.700 -0.097 0.000 1.037 799 T CA 1.270 63.310 62.100 -0.100 0.000 1.146 799 T CB -0.191 68.604 68.868 -0.122 0.000 0.865 799 T HN 0.593 nan 8.240 nan 0.000 0.435 800 R N 1.952 122.376 120.500 -0.127 0.000 2.207 800 R HA 0.527 4.867 4.340 0.000 0.000 0.334 800 R C -0.665 175.574 176.300 -0.102 0.000 1.013 800 R CA -0.600 55.431 56.100 -0.115 0.000 0.858 800 R CB 0.515 30.732 30.300 -0.139 0.000 1.094 800 R HN 0.374 nan 8.270 nan 0.000 0.457 801 I N -1.285 119.240 120.570 -0.075 0.000 2.385 801 I HA 0.348 4.518 4.170 0.000 0.000 0.294 801 I C -0.479 175.600 176.117 -0.063 0.000 0.988 801 I CA -0.454 60.809 61.300 -0.062 0.000 1.265 801 I CB 1.463 39.437 38.000 -0.044 0.000 1.388 801 I HN 0.326 nan 8.210 nan 0.000 0.480 802 D N 7.686 128.047 120.400 -0.065 0.000 2.427 802 D HA 0.431 5.071 4.640 0.000 0.000 0.226 802 D C -1.821 174.421 176.300 -0.098 0.000 1.076 802 D CA -2.413 51.541 54.000 -0.078 0.000 0.849 802 D CB 1.714 42.469 40.800 -0.075 0.000 1.052 802 D HN 0.373 nan 8.370 nan 0.000 0.515 803 P HA -0.102 nan 4.420 nan 0.000 0.223 803 P C 0.568 177.768 177.300 -0.166 0.000 1.144 803 P CA 0.730 63.766 63.100 -0.107 0.000 0.783 803 P CB 0.410 32.057 31.700 -0.089 0.000 0.771 804 N N -0.510 118.075 118.700 -0.191 0.000 2.353 804 N HA 0.086 4.826 4.740 0.000 0.000 0.185 804 N C 0.754 176.027 175.510 -0.395 0.000 1.098 804 N CA 0.086 52.963 53.050 -0.287 0.000 0.872 804 N CB -0.053 38.286 38.487 -0.246 0.000 0.970 804 N HN 0.098 nan 8.380 nan 0.000 0.467 805 A N 0.071 122.722 122.820 -0.281 0.000 2.498 805 A HA 0.029 4.349 4.320 0.000 0.000 0.239 805 A C 0.833 178.170 177.584 -0.412 0.000 1.068 805 A CA -0.327 51.544 52.037 -0.276 0.000 0.766 805 A CB 0.028 18.953 19.000 -0.125 0.000 1.003 805 A HN 0.330 nan 8.150 nan 0.000 0.497 806 W N 1.771 122.789 121.300 -0.470 0.000 2.302 806 W HA -0.225 4.435 4.660 0.000 0.000 0.320 806 W C 2.253 178.172 176.519 -1.001 0.000 1.241 806 W CA 1.923 58.686 57.345 -0.971 0.000 1.264 806 W CB -0.457 28.300 29.460 -1.171 0.000 1.154 806 W HN 0.551 nan 8.180 nan 0.000 0.483 807 V N 0.626 120.425 119.914 -0.190 0.000 2.332 807 V HA -0.294 3.826 4.120 0.000 0.000 0.248 807 V C 2.303 178.477 176.094 0.133 0.000 1.055 807 V CA 2.208 64.621 62.300 0.189 0.000 1.038 807 V CB -0.465 31.507 31.823 0.249 0.000 0.651 807 V HN 0.072 nan 8.190 nan 0.000 0.450 808 E N 0.188 120.370 120.200 -0.030 0.000 2.058 808 E HA -0.189 4.161 4.350 0.000 0.000 0.194 808 E C 2.379 178.944 176.600 -0.058 0.000 0.997 808 E CA 1.441 57.819 56.400 -0.037 0.000 0.801 808 E CB -0.370 29.272 29.700 -0.096 0.000 0.746 808 E HN 0.628 nan 8.360 nan 0.000 0.450 809 R N -0.444 119.939 120.500 -0.195 0.000 2.075 809 R HA -0.125 4.215 4.340 0.000 0.000 0.232 809 R C 2.315 178.561 176.300 -0.090 0.000 1.126 809 R CA 1.116 57.086 56.100 -0.217 0.000 0.963 809 R CB -0.435 29.612 30.300 -0.422 0.000 0.858 809 R HN 0.274 nan 8.270 nan 0.000 0.435 810 W N 1.981 123.237 121.300 -0.073 0.000 2.358 810 W HA -0.032 4.628 4.660 0.000 0.000 0.303 810 W C 2.062 178.547 176.519 -0.057 0.000 1.208 810 W CA 0.386 57.594 57.345 -0.228 0.000 1.274 810 W CB -0.575 28.870 29.460 -0.026 0.000 1.138 810 W HN 0.120 nan 8.180 nan 0.000 0.515 811 K N -0.000 120.630 120.400 0.384 0.000 1.985 811 K HA -0.118 4.202 4.320 0.000 0.000 0.210 811 K C 2.200 178.886 176.600 0.144 0.000 1.047 811 K CA 1.736 58.216 56.287 0.322 0.000 0.932 811 K CB -0.648 31.984 32.500 0.220 0.000 0.716 811 K HN -0.025 nan 8.250 nan 0.000 0.439 812 A N 1.199 124.068 122.820 0.082 0.000 2.024 812 A HA -0.139 4.181 4.320 0.000 0.000 0.220 812 A C 2.186 179.781 177.584 0.018 0.000 1.164 812 A CA 1.928 53.990 52.037 0.043 0.000 0.643 812 A CB -0.491 18.515 19.000 0.010 0.000 0.806 812 A HN 0.392 nan 8.150 nan 0.000 0.451 813 A N -2.125 120.689 122.820 -0.011 0.000 2.123 813 A HA 0.395 4.715 4.320 0.000 0.000 0.214 813 A C 1.891 179.408 177.584 -0.112 0.000 1.152 813 A CA 1.306 53.336 52.037 -0.011 0.000 0.728 813 A CB -0.717 18.259 19.000 -0.039 0.000 0.814 813 A HN 1.888 nan 8.150 nan 0.000 0.464 814 G N -1.821 106.857 108.800 -0.204 0.000 2.141 814 G HA2 -0.280 3.680 3.960 0.000 0.000 0.231 814 G HA3 -0.280 3.680 3.960 0.000 0.000 0.231 814 G C 0.610 175.478 174.900 -0.054 0.000 0.984 814 G CA 0.611 45.385 45.100 -0.543 0.000 0.660 814 G HN 0.705 nan 8.290 nan 0.000 0.525 815 H N -1.304 117.719 119.070 -0.078 0.000 2.387 815 H HA -0.112 4.444 4.556 0.000 0.000 0.299 815 H C 2.177 177.457 175.328 -0.079 0.000 1.099 815 H CA 1.649 57.652 56.048 -0.075 0.000 1.315 815 H CB 0.091 29.733 29.762 -0.201 0.000 1.380 815 H HN 0.615 nan 8.280 nan 0.000 0.513 816 Y N 0.738 121.155 120.300 0.196 0.000 2.509 816 Y HA -0.102 4.448 4.550 0.000 0.000 0.293 816 Y C 1.799 177.778 175.900 0.133 0.000 1.133 816 Y CA 0.668 58.848 58.100 0.133 0.000 1.283 816 Y CB 0.414 38.941 38.460 0.113 0.000 1.001 816 Y HN 0.358 nan 8.280 nan 0.000 0.555 817 Q N -0.649 119.310 119.800 0.265 0.000 2.106 817 Q HA 0.464 4.804 4.340 0.000 0.000 0.273 817 Q C -0.290 175.889 176.000 0.298 0.000 0.853 817 Q CA -0.378 55.580 55.803 0.259 0.000 1.118 817 Q CB 0.416 29.299 28.738 0.242 0.000 1.240 817 Q HN 0.127 nan 8.270 nan 0.000 0.445 818 A N 1.154 124.159 122.820 0.309 0.000 2.351 818 A HA 0.376 4.696 4.320 0.000 0.000 0.257 818 A C -0.094 177.753 177.584 0.439 0.000 1.087 818 A CA -0.217 52.049 52.037 0.382 0.000 0.798 818 A CB 0.538 19.762 19.000 0.373 0.000 1.033 818 A HN 0.313 nan 8.150 nan 0.000 0.488 819 E N 0.701 121.098 120.200 0.328 0.000 2.156 819 E HA 0.473 4.823 4.350 0.000 0.000 0.279 819 E C -0.093 176.488 176.600 -0.033 0.000 0.965 819 E CA -0.232 56.276 56.400 0.180 0.000 0.789 819 E CB 1.770 31.542 29.700 0.120 0.000 1.098 819 E HN 0.725 nan 8.360 nan 0.000 0.397 820 A N 2.340 125.006 122.820 -0.256 0.000 2.371 820 A HA 0.603 4.923 4.320 0.000 0.000 0.257 820 A C -0.255 177.155 177.584 -0.291 0.000 1.089 820 A CA -0.119 51.464 52.037 -0.757 0.000 0.794 820 A CB 0.570 19.062 19.000 -0.847 0.000 1.029 820 A HN 0.561 nan 8.150 nan 0.000 0.488 821 A N 1.889 124.541 122.820 -0.280 0.000 2.375 821 A HA 0.559 4.879 4.320 0.000 0.000 0.295 821 A C -0.787 176.709 177.584 -0.146 0.000 1.066 821 A CA -0.551 51.409 52.037 -0.128 0.000 0.722 821 A CB 0.756 19.708 19.000 -0.080 0.000 1.206 821 A HN 1.171 nan 8.150 nan 0.000 0.435 822 L N 3.375 124.494 121.223 -0.174 0.000 2.418 822 L HA 0.285 4.625 4.340 0.000 0.000 0.274 822 L C 0.568 177.302 176.870 -0.227 0.000 1.135 822 L CA 0.028 54.660 54.840 -0.348 0.000 0.870 822 L CB 0.090 41.959 42.059 -0.317 0.000 1.154 822 L HN 0.804 nan 8.230 nan 0.000 0.462 823 L N 3.653 124.734 121.223 -0.237 0.000 2.357 823 L HA 0.225 4.565 4.340 0.000 0.000 0.211 823 L C 0.473 177.275 176.870 -0.112 0.000 1.075 823 L CA 0.185 54.953 54.840 -0.120 0.000 0.830 823 L CB 0.084 42.106 42.059 -0.061 0.000 0.996 823 L HN 0.800 nan 8.230 nan 0.000 0.467 824 Q N -0.655 119.045 119.800 -0.166 0.000 2.617 824 Q HA 0.296 4.636 4.340 0.000 0.000 0.270 824 Q C -1.935 173.999 176.000 -0.111 0.000 0.967 824 Q CA -0.762 54.979 55.803 -0.104 0.000 0.887 824 Q CB 2.283 30.992 28.738 -0.049 0.000 1.516 824 Q HN 0.016 nan 8.270 nan 0.000 0.395 825 C N 2.768 122.043 119.300 -0.041 0.000 2.705 825 C HA 0.893 5.353 4.460 0.000 0.000 0.369 825 C C -1.098 173.956 174.990 0.107 0.000 1.069 825 C CA 0.758 59.790 59.018 0.023 0.000 1.260 825 C CB 0.844 28.594 27.740 0.017 0.000 1.764 825 C HN 0.905 nan 8.230 nan 0.000 0.469 826 T N 2.790 117.373 114.554 0.048 0.000 2.883 826 T HA 0.891 5.241 4.350 0.000 0.000 0.301 826 T C -0.592 173.954 174.700 -0.256 0.000 1.158 826 T CA -0.062 62.023 62.100 -0.026 0.000 1.007 826 T CB 1.805 70.651 68.868 -0.037 0.000 1.186 826 T HN 1.987 nan 8.240 nan 0.000 0.499 827 A N 1.659 124.205 122.820 -0.458 0.000 2.401 827 A HA 0.841 5.161 4.320 0.000 0.000 0.310 827 A C -1.236 176.127 177.584 -0.369 0.000 1.075 827 A CA -0.644 51.013 52.037 -0.633 0.000 0.746 827 A CB 1.449 19.653 19.000 -1.327 0.000 1.277 827 A HN 0.894 nan 8.150 nan 0.000 0.425 828 D N 0.292 120.520 120.400 -0.285 0.000 2.736 828 D HA 0.451 5.091 4.640 0.000 0.000 0.223 828 D C -1.311 174.903 176.300 -0.142 0.000 1.231 828 D CA -0.011 53.884 54.000 -0.174 0.000 0.818 828 D CB 2.436 43.164 40.800 -0.121 0.000 1.587 828 D HN 0.448 nan 8.370 nan 0.000 0.463 829 T N 1.512 116.007 114.554 -0.098 0.000 2.758 829 T HA 0.513 4.863 4.350 0.000 0.000 0.285 829 T C 0.122 174.792 174.700 -0.049 0.000 0.981 829 T CA -0.584 61.474 62.100 -0.069 0.000 0.965 829 T CB 1.092 69.934 68.868 -0.043 0.000 0.927 829 T HN 0.057 nan 8.240 nan 0.000 0.448 830 L N 1.674 122.869 121.223 -0.047 0.000 2.376 830 L HA 0.679 5.019 4.340 0.000 0.000 0.267 830 L C 1.807 178.663 176.870 -0.024 0.000 1.035 830 L CA -0.501 54.318 54.840 -0.034 0.000 0.800 830 L CB 0.111 42.148 42.059 -0.036 0.000 1.290 830 L HN 0.721 nan 8.230 nan 0.000 0.462 831 A N -0.171 122.638 122.820 -0.018 0.000 1.933 831 A HA -0.148 4.173 4.320 0.000 0.000 0.218 831 A C 0.948 178.525 177.584 -0.012 0.000 1.175 831 A CA 2.034 54.064 52.037 -0.012 0.000 0.628 831 A CB -0.707 18.288 19.000 -0.009 0.000 0.814 831 A HN 0.862 nan 8.150 nan 0.000 0.444 832 D N -2.473 117.917 120.400 -0.017 0.000 2.500 832 D HA 0.564 5.204 4.640 0.000 0.000 0.217 832 D C 0.237 176.521 176.300 -0.026 0.000 1.159 832 D CA 0.660 54.649 54.000 -0.019 0.000 0.828 832 D CB 0.500 41.289 40.800 -0.018 0.000 1.039 832 D HN 0.512 nan 8.370 nan 0.000 0.512 833 A N -0.411 122.389 122.820 -0.033 0.000 2.511 833 A HA 0.619 4.939 4.320 0.000 0.000 0.293 833 A C -1.749 175.795 177.584 -0.066 0.000 1.098 833 A CA -0.787 51.220 52.037 -0.051 0.000 0.643 833 A CB 0.765 19.732 19.000 -0.054 0.000 1.302 833 A HN -0.015 nan 8.150 nan 0.000 0.446 834 V N 0.308 120.164 119.914 -0.097 0.000 2.547 834 V HA 0.691 4.811 4.120 0.000 0.000 0.299 834 V C -0.875 175.134 176.094 -0.142 0.000 1.040 834 V CA -0.477 61.747 62.300 -0.127 0.000 0.913 834 V CB 1.358 33.091 31.823 -0.150 0.000 0.992 834 V HN 0.825 nan 8.190 nan 0.000 0.449 835 L N 5.775 126.905 121.223 -0.156 0.000 2.376 835 L HA 0.656 4.996 4.340 0.000 0.000 0.275 835 L C -0.915 175.835 176.870 -0.200 0.000 0.987 835 L CA -0.069 54.688 54.840 -0.139 0.000 0.828 835 L CB 1.416 43.418 42.059 -0.096 0.000 1.249 835 L HN 0.405 nan 8.230 nan 0.000 0.409 836 I N 3.685 124.148 120.570 -0.179 0.000 2.441 836 I HA 0.531 4.701 4.170 0.000 0.000 0.295 836 I C -0.047 176.059 176.117 -0.019 0.000 0.994 836 I CA -0.381 60.774 61.300 -0.242 0.000 1.144 836 I CB 1.723 39.365 38.000 -0.596 0.000 1.314 836 I HN 0.525 nan 8.210 nan 0.000 0.445 837 T N 4.522 119.051 114.554 -0.041 0.000 2.879 837 T HA 0.631 4.981 4.350 0.000 0.000 0.290 837 T C -0.002 174.738 174.700 0.067 0.000 0.993 837 T CA -0.533 61.593 62.100 0.042 0.000 0.975 837 T CB 1.757 70.624 68.868 -0.002 0.000 0.981 837 T HN 0.806 nan 8.240 nan 0.000 0.439 838 T N -0.221 114.417 114.554 0.139 0.000 2.901 838 T HA 0.911 5.261 4.350 0.000 0.000 0.293 838 T C -1.138 173.630 174.700 0.112 0.000 1.084 838 T CA -1.109 61.056 62.100 0.109 0.000 1.008 838 T CB 2.099 71.118 68.868 0.251 0.000 1.170 838 T HN 0.790 nan 8.240 nan 0.000 0.509 839 A N 1.432 124.242 122.820 -0.016 0.000 2.465 839 A HA 0.713 5.033 4.320 0.000 0.000 0.292 839 A C -1.492 176.029 177.584 -0.104 0.000 1.041 839 A CA -0.790 51.286 52.037 0.066 0.000 0.718 839 A CB 0.724 19.749 19.000 0.042 0.000 1.266 839 A HN 0.985 nan 8.150 nan 0.000 0.403 840 H N 0.259 119.393 119.070 0.107 0.000 2.797 840 H HA 0.850 5.406 4.556 0.000 0.000 0.372 840 H C 0.029 175.411 175.328 0.090 0.000 1.168 840 H CA 0.156 56.190 56.048 -0.024 0.000 1.163 840 H CB 2.107 31.728 29.762 -0.234 0.000 1.778 840 H HN 1.015 nan 8.280 nan 0.000 0.551 841 A N 1.332 124.198 122.820 0.076 0.000 2.371 841 A HA 0.468 4.788 4.320 0.000 0.000 0.311 841 A C -1.414 176.239 177.584 0.115 0.000 1.068 841 A CA -0.722 51.437 52.037 0.203 0.000 0.744 841 A CB 1.210 20.281 19.000 0.119 0.000 1.239 841 A HN 0.582 nan 8.150 nan 0.000 0.435 842 W N 2.220 123.611 121.300 0.151 0.000 2.429 842 W HA 0.420 5.080 4.660 0.000 0.000 0.314 842 W C -0.317 176.188 176.519 -0.023 0.000 1.062 842 W CA -0.298 57.117 57.345 0.117 0.000 1.211 842 W CB 1.697 31.269 29.460 0.187 0.000 1.305 842 W HN 0.773 nan 8.180 nan 0.000 0.476 843 Q N 1.857 121.786 119.800 0.214 0.000 2.496 843 Q HA 0.479 4.819 4.340 0.000 0.000 0.286 843 Q C -1.027 175.099 176.000 0.210 0.000 1.103 843 Q CA -0.971 54.913 55.803 0.135 0.000 0.813 843 Q CB 3.500 32.285 28.738 0.079 0.000 1.444 843 Q HN 0.447 nan 8.270 nan 0.000 0.443 844 H N 0.799 119.893 119.070 0.039 0.000 3.240 844 H HA 0.051 4.607 4.556 0.000 0.000 0.329 844 H C -0.968 174.385 175.328 0.042 0.000 1.024 844 H CA 0.029 56.111 56.048 0.056 0.000 1.487 844 H CB 0.961 30.764 29.762 0.068 0.000 1.909 844 H HN 0.865 nan 8.280 nan 0.000 0.465 845 Q N 3.218 122.803 119.800 -0.358 0.000 2.453 845 Q HA -0.236 4.104 4.340 0.000 0.000 0.294 845 Q C 0.945 176.900 176.000 -0.074 0.000 1.295 845 Q CA 1.137 56.795 55.803 -0.241 0.000 0.853 845 Q CB -1.464 27.095 28.738 -0.298 0.000 1.193 845 Q HN 1.171 nan 8.270 nan 0.000 0.461 846 G N -0.191 108.587 108.800 -0.037 0.000 2.205 846 G HA2 -0.378 3.582 3.960 0.000 0.000 0.261 846 G HA3 -0.378 3.582 3.960 0.000 0.000 0.261 846 G C 0.069 174.977 174.900 0.014 0.000 0.980 846 G CA 0.676 45.772 45.100 -0.006 0.000 0.632 846 G HN 0.378 nan 8.290 nan 0.000 0.533 847 K N 1.225 121.643 120.400 0.030 0.000 2.156 847 K HA 0.620 4.940 4.320 0.000 0.000 0.271 847 K C -0.132 176.481 176.600 0.021 0.000 0.995 847 K CA -0.123 56.183 56.287 0.032 0.000 0.890 847 K CB 0.860 33.387 32.500 0.044 0.000 1.073 847 K HN 0.011 nan 8.250 nan 0.000 0.454 848 T N 5.734 120.289 114.554 0.002 0.000 2.728 848 T HA 0.231 4.581 4.350 0.000 0.000 0.296 848 T C 1.094 175.728 174.700 -0.110 0.000 0.940 848 T CA -0.564 61.529 62.100 -0.012 0.000 1.013 848 T CB 0.535 69.419 68.868 0.026 0.000 0.912 848 T HN 0.529 nan 8.240 nan 0.000 0.484 849 L N 1.996 123.037 121.223 -0.304 0.000 2.168 849 L HA 0.354 4.694 4.340 0.000 0.000 0.203 849 L C -0.071 176.311 176.870 -0.814 0.000 1.078 849 L CA 0.860 55.249 54.840 -0.751 0.000 0.780 849 L CB -0.036 41.104 42.059 -1.531 0.000 0.939 849 L HN 0.527 nan 8.230 nan 0.000 0.451 850 F N -1.083 118.818 119.950 -0.082 0.000 2.626 850 F HA 0.593 5.120 4.527 0.000 0.000 0.311 850 F C -0.519 175.377 175.800 0.159 0.000 1.088 850 F CA -0.865 57.053 58.000 -0.137 0.000 0.949 850 F CB 1.981 40.565 39.000 -0.694 0.000 1.322 850 F HN -0.326 nan 8.300 nan 0.000 0.461 851 I N 1.422 122.228 120.570 0.394 0.000 2.466 851 I HA 0.405 4.575 4.170 0.000 0.000 0.289 851 I C -0.888 175.493 176.117 0.440 0.000 1.026 851 I CA -0.573 60.979 61.300 0.421 0.000 1.078 851 I CB 2.227 40.390 38.000 0.271 0.000 1.249 851 I HN 0.569 nan 8.210 nan 0.000 0.429 852 S N 6.714 122.771 115.700 0.594 0.000 2.552 852 S HA 0.605 5.075 4.470 0.000 0.000 0.314 852 S C -0.769 174.083 174.600 0.420 0.000 1.099 852 S CA -0.671 57.848 58.200 0.532 0.000 1.070 852 S CB 0.791 64.422 63.200 0.719 0.000 0.998 852 S HN 0.583 nan 8.310 nan 0.000 0.474 853 R N 3.434 124.103 120.500 0.282 0.000 2.480 853 R HA 0.556 4.896 4.340 0.000 0.000 0.306 853 R C -0.756 175.622 176.300 0.130 0.000 0.958 853 R CA -0.776 55.447 56.100 0.206 0.000 0.861 853 R CB 1.931 32.325 30.300 0.157 0.000 1.171 853 R HN 0.550 nan 8.270 nan 0.000 0.445 854 K N 0.672 121.145 120.400 0.122 0.000 2.395 854 K HA 0.558 4.878 4.320 0.000 0.000 0.245 854 K C -0.728 175.858 176.600 -0.024 0.000 1.017 854 K CA -0.970 55.307 56.287 -0.016 0.000 0.852 854 K CB 2.445 34.888 32.500 -0.095 0.000 1.311 854 K HN 0.623 nan 8.250 nan 0.000 0.452 855 T N -1.416 113.035 114.554 -0.171 0.000 2.952 855 T HA 0.534 4.884 4.350 0.000 0.000 0.305 855 T C -1.455 173.119 174.700 -0.210 0.000 1.064 855 T CA -0.786 61.264 62.100 -0.082 0.000 1.008 855 T CB 0.431 69.282 68.868 -0.028 0.000 1.078 855 T HN 0.408 nan 8.240 nan 0.000 0.459 856 Y N 1.246 121.527 120.300 -0.032 0.000 2.350 856 Y HA 0.704 5.254 4.550 0.000 0.000 0.338 856 Y C 0.392 176.239 175.900 -0.088 0.000 0.961 856 Y CA -1.100 56.988 58.100 -0.019 0.000 1.100 856 Y CB 2.015 40.480 38.460 0.009 0.000 1.179 856 Y HN 0.807 nan 8.280 nan 0.000 0.454 857 R N 4.906 125.454 120.500 0.080 0.000 2.483 857 R HA 0.633 4.973 4.340 0.000 0.000 0.303 857 R C -1.999 174.262 176.300 -0.065 0.000 0.987 857 R CA -0.382 55.710 56.100 -0.013 0.000 0.881 857 R CB 0.834 31.126 30.300 -0.013 0.000 1.177 857 R HN 0.819 nan 8.270 nan 0.000 0.451 858 I N 4.592 125.069 120.570 -0.154 0.000 2.362 858 I HA 0.267 4.437 4.170 0.000 0.000 0.289 858 I C -0.382 175.635 176.117 -0.167 0.000 0.994 858 I CA -0.944 60.203 61.300 -0.254 0.000 1.158 858 I CB 1.609 39.293 38.000 -0.526 0.000 1.315 858 I HN 0.708 nan 8.210 nan 0.000 0.451 859 D N 4.030 124.362 120.400 -0.113 0.000 2.506 859 D HA 0.296 4.936 4.640 0.000 0.000 0.254 859 D C 1.232 177.513 176.300 -0.032 0.000 1.089 859 D CA -0.693 53.272 54.000 -0.059 0.000 1.050 859 D CB 0.959 41.740 40.800 -0.032 0.000 1.221 859 D HN 0.500 nan 8.370 nan 0.000 0.589 860 G N -1.217 107.571 108.800 -0.019 0.000 2.498 860 G HA2 -0.189 3.771 3.960 0.000 0.000 0.219 860 G HA3 -0.189 3.771 3.960 0.000 0.000 0.219 860 G C 1.172 176.077 174.900 0.008 0.000 1.119 860 G CA 1.081 46.179 45.100 -0.004 0.000 0.766 860 G HN 0.557 nan 8.290 nan 0.000 0.552 861 S N -0.860 114.844 115.700 0.007 0.000 2.593 861 S HA 0.371 4.841 4.470 0.000 0.000 0.217 861 S C 1.699 176.339 174.600 0.066 0.000 0.966 861 S CA 0.891 59.105 58.200 0.024 0.000 0.914 861 S CB -0.008 63.202 63.200 0.016 0.000 0.776 861 S HN 1.471 nan 8.310 nan 0.000 0.523 862 G N 0.855 109.707 108.800 0.087 0.000 2.160 862 G HA2 -0.212 3.748 3.960 0.000 0.000 0.244 862 G HA3 -0.212 3.748 3.960 0.000 0.000 0.244 862 G C -0.356 174.646 174.900 0.171 0.000 1.022 862 G CA -0.004 45.211 45.100 0.192 0.000 0.741 862 G HN 0.623 nan 8.290 nan 0.000 0.508 863 Q N -0.785 119.058 119.800 0.072 0.000 2.274 863 Q HA 0.683 5.023 4.340 0.000 0.000 0.260 863 Q C 0.060 176.071 176.000 0.020 0.000 0.974 863 Q CA -0.606 55.246 55.803 0.082 0.000 0.876 863 Q CB 1.996 30.782 28.738 0.081 0.000 1.297 863 Q HN 0.392 nan 8.270 nan 0.000 0.446 864 M N 2.016 121.665 119.600 0.081 0.000 2.114 864 M HA 0.566 5.046 4.480 0.000 0.000 0.332 864 M C -1.514 174.886 176.300 0.167 0.000 1.014 864 M CA -0.513 54.826 55.300 0.064 0.000 0.956 864 M CB 1.106 33.739 32.600 0.056 0.000 1.551 864 M HN 0.756 nan 8.290 nan 0.000 0.427 865 A N 6.973 129.860 122.820 0.111 0.000 2.288 865 A HA 0.772 5.092 4.320 0.000 0.000 0.320 865 A C -0.893 176.731 177.584 0.066 0.000 1.217 865 A CA -0.695 51.405 52.037 0.106 0.000 0.840 865 A CB 0.552 19.594 19.000 0.070 0.000 1.179 865 A HN 0.908 nan 8.150 nan 0.000 0.504 866 I N 1.454 122.046 120.570 0.037 0.000 2.474 866 I HA 0.462 4.632 4.170 0.000 0.000 0.294 866 I C -0.178 175.834 176.117 -0.174 0.000 1.005 866 I CA -0.383 60.845 61.300 -0.119 0.000 1.113 866 I CB 2.381 40.327 38.000 -0.090 0.000 1.289 866 I HN 0.491 nan 8.210 nan 0.000 0.436 867 T N 5.029 119.426 114.554 -0.262 0.000 2.841 867 T HA 0.550 4.900 4.350 0.000 0.000 0.285 867 T C -0.613 173.882 174.700 -0.341 0.000 0.991 867 T CA -0.383 61.564 62.100 -0.256 0.000 0.966 867 T CB 1.865 70.675 68.868 -0.096 0.000 0.962 867 T HN 0.251 nan 8.240 nan 0.000 0.438 868 V N 3.967 123.551 119.914 -0.550 0.000 2.540 868 V HA 0.593 4.713 4.120 0.000 0.000 0.302 868 V C -0.783 175.141 176.094 -0.283 0.000 1.035 868 V CA -0.913 61.088 62.300 -0.497 0.000 0.873 868 V CB 2.113 33.383 31.823 -0.922 0.000 0.992 868 V HN 0.833 nan 8.190 nan 0.000 0.428 869 D N 3.062 123.465 120.400 0.004 0.000 2.686 869 D HA 0.513 5.153 4.640 0.000 0.000 0.249 869 D C -1.122 175.307 176.300 0.216 0.000 1.260 869 D CA -0.120 53.984 54.000 0.174 0.000 0.910 869 D CB 2.788 43.721 40.800 0.221 0.000 1.323 869 D HN 0.275 nan 8.370 nan 0.000 0.561 870 V N 1.888 121.968 119.914 0.275 0.000 2.628 870 V HA 0.368 4.488 4.120 0.000 0.000 0.306 870 V C 0.047 176.290 176.094 0.248 0.000 1.045 870 V CA -0.704 61.766 62.300 0.283 0.000 0.905 870 V CB 2.531 34.546 31.823 0.320 0.000 0.997 870 V HN 0.385 nan 8.190 nan 0.000 0.436 871 E N 1.926 122.260 120.200 0.222 0.000 2.187 871 E HA 0.678 5.028 4.350 0.000 0.000 0.268 871 E C -1.592 175.133 176.600 0.209 0.000 0.896 871 E CA -0.488 56.023 56.400 0.185 0.000 0.766 871 E CB 2.387 32.181 29.700 0.157 0.000 1.142 871 E HN 0.471 nan 8.360 nan 0.000 0.408 872 V N 2.287 122.323 119.914 0.204 0.000 2.487 872 V HA 0.455 4.575 4.120 0.000 0.000 0.298 872 V C -0.061 176.133 176.094 0.167 0.000 1.028 872 V CA -1.009 61.436 62.300 0.241 0.000 0.860 872 V CB 1.602 33.590 31.823 0.274 0.000 0.991 872 V HN 0.845 nan 8.190 nan 0.000 0.427 873 A N 3.222 126.110 122.820 0.114 0.000 2.548 873 A HA 0.295 4.615 4.320 0.000 0.000 0.247 873 A C 1.675 179.337 177.584 0.129 0.000 1.067 873 A CA 0.638 52.725 52.037 0.083 0.000 0.757 873 A CB 0.250 19.265 19.000 0.026 0.000 0.996 873 A HN 1.397 nan 8.150 nan 0.000 0.504 874 S N 1.623 117.392 115.700 0.114 0.000 2.400 874 S HA -0.189 4.281 4.470 0.000 0.000 0.232 874 S C 0.984 175.670 174.600 0.142 0.000 1.025 874 S CA 1.598 59.879 58.200 0.135 0.000 0.993 874 S CB -0.342 62.914 63.200 0.093 0.000 0.808 874 S HN 0.825 nan 8.310 nan 0.000 0.478 875 D N 0.278 120.738 120.400 0.101 0.000 2.325 875 D HA 0.152 4.792 4.640 0.000 0.000 0.225 875 D C 0.507 176.858 176.300 0.084 0.000 1.096 875 D CA 0.017 54.064 54.000 0.078 0.000 0.844 875 D CB -0.330 40.499 40.800 0.049 0.000 0.925 875 D HN 0.332 nan 8.370 nan 0.000 0.513 876 T N 0.755 115.389 114.554 0.133 0.000 2.943 876 T HA 0.449 4.799 4.350 0.000 0.000 0.284 876 T C -2.673 172.160 174.700 0.223 0.000 1.015 876 T CA -2.026 60.180 62.100 0.176 0.000 1.042 876 T CB 1.393 70.380 68.868 0.198 0.000 1.055 876 T HN -0.192 nan 8.240 nan 0.000 0.500 877 P HA 0.192 nan 4.420 nan 0.000 0.271 877 P C -0.640 176.971 177.300 0.518 0.000 1.216 877 P CA -0.234 62.975 63.100 0.183 0.000 0.776 877 P CB 0.149 31.936 31.700 0.146 0.000 0.881 878 H N 2.942 122.357 119.070 0.574 0.000 2.964 878 H HA 0.092 4.648 4.556 0.000 0.000 0.328 878 H C -1.870 173.804 175.328 0.578 0.000 1.030 878 H CA -1.737 54.598 56.048 0.478 0.000 1.445 878 H CB -0.951 29.027 29.762 0.361 0.000 1.449 878 H HN 0.311 nan 8.280 nan 0.000 0.581 879 P HA 0.089 nan 4.420 nan 0.000 0.274 879 P C 0.386 177.608 177.300 -0.130 0.000 1.231 879 P CA -0.335 62.836 63.100 0.118 0.000 0.790 879 P CB 0.839 32.472 31.700 -0.112 0.000 0.951 880 A N 3.087 125.597 122.820 -0.517 0.000 1.969 880 A HA -0.087 4.233 4.320 0.000 0.000 0.218 880 A C 1.069 178.282 177.584 -0.618 0.000 1.169 880 A CA 1.468 53.150 52.037 -0.592 0.000 0.635 880 A CB -0.558 17.897 19.000 -0.908 0.000 0.810 880 A HN 0.765 nan 8.150 nan 0.000 0.445 881 R N -2.936 117.238 120.500 -0.543 0.000 2.741 881 R HA 0.704 5.044 4.340 0.000 0.000 0.274 881 R C -1.888 174.174 176.300 -0.397 0.000 1.029 881 R CA -0.819 54.973 56.100 -0.513 0.000 0.880 881 R CB 0.585 30.517 30.300 -0.614 0.000 1.264 881 R HN 0.026 nan 8.270 nan 0.000 0.465 882 I N 1.060 121.430 120.570 -0.334 0.000 2.540 882 I HA 0.639 4.809 4.170 0.000 0.000 0.280 882 I C -0.474 175.416 176.117 -0.380 0.000 1.083 882 I CA -0.427 60.684 61.300 -0.315 0.000 1.080 882 I CB 1.790 39.679 38.000 -0.186 0.000 1.205 882 I HN 1.008 nan 8.210 nan 0.000 0.459 883 G N 5.771 114.304 108.800 -0.445 0.000 2.578 883 G HA2 0.732 4.692 3.960 0.000 0.000 0.302 883 G HA3 0.732 4.692 3.960 0.000 0.000 0.302 883 G C -1.765 172.962 174.900 -0.288 0.000 1.243 883 G CA -0.535 44.355 45.100 -0.351 0.000 0.843 883 G HN 0.295 nan 8.290 nan 0.000 0.486 884 L N 0.550 121.653 121.223 -0.201 0.000 2.303 884 L HA 0.707 5.047 4.340 0.000 0.000 0.256 884 L C -0.705 176.062 176.870 -0.171 0.000 1.034 884 L CA -1.123 53.617 54.840 -0.166 0.000 0.832 884 L CB 2.604 44.631 42.059 -0.053 0.000 1.403 884 L HN 0.869 nan 8.230 nan 0.000 0.419 885 N N 0.098 118.725 118.700 -0.120 0.000 2.823 885 N HA 0.671 5.411 4.740 0.000 0.000 0.251 885 N C -1.341 174.182 175.510 0.022 0.000 1.392 885 N CA -0.535 52.480 53.050 -0.058 0.000 0.864 885 N CB 2.157 40.622 38.487 -0.037 0.000 1.481 885 N HN 0.898 nan 8.380 nan 0.000 0.508 886 C N -1.642 117.713 119.300 0.092 0.000 3.253 886 C HA 0.578 5.038 4.460 0.000 0.000 0.342 886 C C -1.381 173.535 174.990 -0.123 0.000 1.306 886 C CA -0.833 58.213 59.018 0.047 0.000 1.207 886 C CB 0.938 28.685 27.740 0.013 0.000 1.479 886 C HN 0.882 nan 8.230 nan 0.000 0.469 887 Q N 1.309 120.820 119.800 -0.482 0.000 2.347 887 Q HA 0.684 5.024 4.340 0.000 0.000 0.262 887 Q C -1.045 174.677 176.000 -0.463 0.000 0.980 887 Q CA -0.442 54.805 55.803 -0.927 0.000 0.867 887 Q CB 0.900 28.710 28.738 -1.546 0.000 1.242 887 Q HN 0.747 nan 8.270 nan 0.000 0.453 888 L N 2.609 123.639 121.223 -0.322 0.000 2.375 888 L HA 0.355 4.695 4.340 0.000 0.000 0.271 888 L C 1.184 177.961 176.870 -0.155 0.000 1.107 888 L CA -0.342 54.413 54.840 -0.142 0.000 0.806 888 L CB 0.972 43.043 42.059 0.020 0.000 1.146 888 L HN 0.807 nan 8.230 nan 0.000 0.447 889 A N 2.115 124.868 122.820 -0.111 0.000 1.930 889 A HA -0.140 4.180 4.320 0.000 0.000 0.217 889 A C 1.164 178.713 177.584 -0.059 0.000 1.175 889 A CA 0.878 52.851 52.037 -0.107 0.000 0.627 889 A CB -0.318 18.618 19.000 -0.106 0.000 0.815 889 A HN 0.818 nan 8.150 nan 0.000 0.443 890 Q N -0.527 119.268 119.800 -0.008 0.000 2.368 890 Q HA 0.463 4.803 4.340 0.000 0.000 0.237 890 Q C -1.141 174.877 176.000 0.030 0.000 0.987 890 Q CA 0.100 55.901 55.803 -0.003 0.000 0.896 890 Q CB 0.963 29.709 28.738 0.013 0.000 1.241 890 Q HN 0.152 nan 8.270 nan 0.000 0.485 891 V N 2.313 122.211 119.914 -0.027 0.000 2.612 891 V HA 0.789 4.909 4.120 0.000 0.000 0.301 891 V C -0.834 175.210 176.094 -0.084 0.000 1.059 891 V CA -0.143 62.173 62.300 0.026 0.000 0.886 891 V CB 1.151 32.987 31.823 0.021 0.000 1.007 891 V HN 0.951 nan 8.190 nan 0.000 0.426 892 A N 3.238 125.972 122.820 -0.144 0.000 2.389 892 A HA 0.886 5.206 4.320 0.000 0.000 0.293 892 A C 0.526 178.143 177.584 0.055 0.000 1.186 892 A CA -0.337 51.589 52.037 -0.185 0.000 0.828 892 A CB 1.643 20.329 19.000 -0.524 0.000 1.369 892 A HN 0.735 nan 8.150 nan 0.000 0.446 893 E N -0.236 119.987 120.200 0.038 0.000 2.075 893 E HA 0.072 4.422 4.350 0.000 0.000 0.190 893 E C 0.614 177.299 176.600 0.142 0.000 0.969 893 E CA 0.989 57.439 56.400 0.083 0.000 0.815 893 E CB 0.142 29.869 29.700 0.045 0.000 0.776 893 E HN 0.538 nan 8.360 nan 0.000 0.457 894 R N -0.533 120.060 120.500 0.154 0.000 2.856 894 R HA 0.610 4.950 4.340 0.000 0.000 0.258 894 R C -1.043 175.445 176.300 0.312 0.000 1.066 894 R CA -0.900 55.318 56.100 0.198 0.000 1.045 894 R CB 2.072 32.457 30.300 0.142 0.000 1.178 894 R HN -0.142 nan 8.270 nan 0.000 0.499 895 V N 1.446 121.550 119.914 0.317 0.000 2.623 895 V HA 0.325 4.445 4.120 0.000 0.000 0.304 895 V C -0.710 175.655 176.094 0.452 0.000 1.054 895 V CA -0.967 61.562 62.300 0.382 0.000 0.882 895 V CB 1.920 33.927 31.823 0.307 0.000 1.002 895 V HN 0.741 nan 8.190 nan 0.000 0.424 896 N N 3.966 122.923 118.700 0.428 0.000 2.295 896 N HA 0.570 5.310 4.740 0.000 0.000 0.293 896 N C -1.455 174.333 175.510 0.463 0.000 1.040 896 N CA -0.396 52.879 53.050 0.374 0.000 0.840 896 N CB 3.026 41.622 38.487 0.182 0.000 1.468 896 N HN 0.832 nan 8.380 nan 0.000 0.478 897 W N 3.010 124.372 121.300 0.104 0.000 3.074 897 W HA 0.611 5.271 4.660 0.000 0.000 0.332 897 W C -2.166 174.363 176.519 0.016 0.000 1.253 897 W CA -1.066 56.326 57.345 0.079 0.000 1.180 897 W CB 0.726 30.266 29.460 0.134 0.000 1.445 897 W HN 0.247 nan 8.180 nan 0.000 0.573 898 L N 3.772 125.021 121.223 0.043 0.000 2.324 898 L HA 0.910 5.250 4.340 0.000 0.000 0.274 898 L C -0.049 176.797 176.870 -0.040 0.000 1.012 898 L CA 0.376 55.077 54.840 -0.233 0.000 0.859 898 L CB 0.772 42.741 42.059 -0.149 0.000 1.224 898 L HN 1.026 nan 8.230 nan 0.000 0.429 899 G N 3.663 112.358 108.800 -0.175 0.000 2.393 899 G HA2 0.220 4.180 3.960 0.000 0.000 0.264 899 G HA3 0.220 4.180 3.960 0.000 0.000 0.264 899 G C -1.633 173.432 174.900 0.274 0.000 1.221 899 G CA -0.995 44.219 45.100 0.190 0.000 0.912 899 G HN 0.376 nan 8.290 nan 0.000 0.483 900 L N 1.264 122.720 121.223 0.389 0.000 2.331 900 L HA 0.624 4.964 4.340 0.000 0.000 0.278 900 L C 0.965 177.888 176.870 0.090 0.000 1.106 900 L CA 0.451 55.434 54.840 0.238 0.000 0.824 900 L CB 0.672 42.800 42.059 0.114 0.000 1.142 900 L HN 1.038 nan 8.230 nan 0.000 0.443 901 G N 3.152 111.728 108.800 -0.374 0.000 2.554 901 G HA2 0.399 4.359 3.960 0.000 0.000 0.306 901 G HA3 0.399 4.359 3.960 0.000 0.000 0.306 901 G C -2.768 171.276 174.900 -1.426 0.000 1.320 901 G CA -0.304 44.157 45.100 -1.065 0.000 0.800 901 G HN 0.321 nan 8.290 nan 0.000 0.481 902 P HA 0.148 nan 4.420 nan 0.000 0.259 902 P C 0.403 177.486 177.300 -0.361 0.000 1.233 902 P CA 0.311 62.791 63.100 -1.033 0.000 0.827 902 P CB 0.782 32.043 31.700 -0.731 0.000 1.154 903 Q N 0.623 120.222 119.800 -0.335 0.000 2.318 903 Q HA 0.142 4.482 4.340 0.000 0.000 0.222 903 Q C 0.381 176.258 176.000 -0.206 0.000 1.003 903 Q CA -0.551 55.130 55.803 -0.204 0.000 0.936 903 Q CB 0.694 29.341 28.738 -0.151 0.000 1.204 903 Q HN 0.109 nan 8.270 nan 0.000 0.524 904 E N 1.322 121.415 120.200 -0.178 0.000 2.608 904 E HA -0.128 4.222 4.350 0.000 0.000 0.259 904 E C -1.179 175.340 176.600 -0.135 0.000 0.951 904 E CA 0.294 56.583 56.400 -0.185 0.000 0.945 904 E CB 0.210 29.872 29.700 -0.063 0.000 0.916 904 E HN 0.568 nan 8.360 nan 0.000 0.477 905 N N 2.806 121.347 118.700 -0.266 0.000 2.308 905 N HA 0.318 5.058 4.740 0.000 0.000 0.283 905 N C -1.881 173.389 175.510 -0.400 0.000 1.105 905 N CA -0.685 52.258 53.050 -0.178 0.000 0.840 905 N CB 0.722 39.119 38.487 -0.150 0.000 1.633 905 N HN 0.237 nan 8.380 nan 0.000 0.476 906 Y N 0.075 120.283 120.300 -0.153 0.000 2.598 906 Y HA 0.513 5.063 4.550 0.000 0.000 0.340 906 Y C -1.610 174.221 175.900 -0.116 0.000 1.038 906 Y CA -2.077 55.923 58.100 -0.168 0.000 1.100 906 Y CB 1.721 40.077 38.460 -0.174 0.000 1.281 906 Y HN 0.434 nan 8.280 nan 0.000 0.488 907 P HA -0.188 nan 4.420 nan 0.000 0.216 907 P C 0.414 177.664 177.300 -0.082 0.000 1.154 907 P CA 2.153 65.297 63.100 0.072 0.000 0.865 907 P CB 0.189 32.012 31.700 0.205 0.000 0.789 908 D N -2.149 118.017 120.400 -0.391 0.000 2.358 908 D HA 0.015 4.655 4.640 0.000 0.000 0.224 908 D C 0.568 176.734 176.300 -0.223 0.000 1.123 908 D CA -0.016 53.550 54.000 -0.724 0.000 0.833 908 D CB -0.228 39.774 40.800 -1.330 0.000 0.946 908 D HN 0.128 nan 8.370 nan 0.000 0.505 909 R N 1.009 121.474 120.500 -0.059 0.000 2.837 909 R HA 0.208 4.548 4.340 0.000 0.000 0.245 909 R C -0.807 175.526 176.300 0.056 0.000 1.712 909 R CA -0.209 55.909 56.100 0.030 0.000 1.539 909 R CB 0.076 30.395 30.300 0.032 0.000 1.490 909 R HN 0.111 nan 8.270 nan 0.000 0.667 910 L N -1.056 120.209 121.223 0.070 0.000 3.635 910 L HA 0.303 4.643 4.340 0.000 0.000 0.338 910 L C 1.174 178.105 176.870 0.101 0.000 1.275 910 L CA 0.058 54.936 54.840 0.063 0.000 1.092 910 L CB 0.185 42.264 42.059 0.034 0.000 1.465 910 L HN 0.140 nan 8.230 nan 0.000 0.625 911 T N -2.582 112.060 114.554 0.146 0.000 2.915 911 T HA 0.060 4.410 4.350 0.000 0.000 0.269 911 T C 1.698 176.493 174.700 0.157 0.000 1.071 911 T CA 1.273 63.488 62.100 0.191 0.000 1.132 911 T CB -0.192 68.827 68.868 0.252 0.000 0.878 911 T HN 0.402 nan 8.240 nan 0.000 0.479 912 A N 1.282 124.198 122.820 0.159 0.000 2.119 912 A HA 0.681 5.001 4.320 0.000 0.000 0.216 912 A C 1.658 179.338 177.584 0.160 0.000 1.152 912 A CA 0.497 52.589 52.037 0.091 0.000 0.708 912 A CB -0.879 18.289 19.000 0.280 0.000 0.805 912 A HN 0.820 nan 8.150 nan 0.000 0.460 916 D N 3.073 122.863 120.400 -1.016 0.000 3.145 916 D HA 0.310 4.950 4.640 0.000 0.000 0.345 916 D C -1.539 173.835 176.300 -1.543 0.000 1.391 916 D CA -0.753 52.465 54.000 -1.303 0.000 0.930 916 D CB 2.275 42.255 40.800 -1.366 0.000 1.451 916 D HN 0.622 nan 8.370 nan 0.000 0.555 917 R N 0.564 120.199 120.500 -1.442 0.000 2.255 917 R HA 0.465 4.806 4.340 0.000 0.000 0.326 917 R C -1.372 174.097 176.300 -1.385 0.000 0.986 917 R CA -0.432 54.975 56.100 -1.154 0.000 0.847 917 R CB 0.575 30.479 30.300 -0.661 0.000 1.111 917 R HN 0.233 nan 8.270 nan 0.000 0.452 918 W N 2.622 123.359 121.300 -0.939 0.000 2.689 918 W HA 0.425 5.085 4.660 0.000 0.000 0.340 918 W C -0.514 175.620 176.519 -0.642 0.000 1.060 918 W CA -0.665 56.086 57.345 -0.990 0.000 1.218 918 W CB 1.545 29.928 29.460 -1.795 0.000 1.410 918 W HN 0.313 nan 8.180 nan 0.000 0.528 919 D N 2.612 122.961 120.400 -0.086 0.000 2.736 919 D HA 0.522 5.162 4.640 0.000 0.000 0.243 919 D C -1.285 175.111 176.300 0.160 0.000 1.304 919 D CA -0.129 53.919 54.000 0.080 0.000 0.934 919 D CB 1.217 42.030 40.800 0.021 0.000 1.382 919 D HN 0.401 nan 8.370 nan 0.000 0.571 920 L N 2.530 123.917 121.223 0.272 0.000 2.397 920 L HA 0.569 4.909 4.340 0.000 0.000 0.251 920 L C -2.521 174.472 176.870 0.206 0.000 1.064 920 L CA -2.175 52.801 54.840 0.227 0.000 0.859 920 L CB 2.683 44.908 42.059 0.277 0.000 1.468 920 L HN 0.149 nan 8.230 nan 0.000 0.411 921 P HA 0.143 nan 4.420 nan 0.000 0.284 921 P C 0.490 177.874 177.300 0.140 0.000 1.253 921 P CA -0.476 62.705 63.100 0.135 0.000 0.800 921 P CB 1.205 32.964 31.700 0.098 0.000 0.961 922 L N 3.684 124.996 121.223 0.148 0.000 2.064 922 L HA -0.310 4.030 4.340 0.000 0.000 0.216 922 L C 2.223 179.152 176.870 0.098 0.000 1.077 922 L CA 2.824 57.739 54.840 0.126 0.000 0.766 922 L CB -1.516 40.631 42.059 0.146 0.000 0.890 922 L HN 0.455 nan 8.230 nan 0.000 0.435 923 S N -1.523 114.235 115.700 0.097 0.000 2.374 923 S HA -0.224 4.246 4.470 0.000 0.000 0.227 923 S C 1.653 176.329 174.600 0.127 0.000 1.037 923 S CA 1.347 59.612 58.200 0.110 0.000 1.024 923 S CB -0.927 62.327 63.200 0.090 0.000 0.861 923 S HN 0.542 nan 8.310 nan 0.000 0.456 924 D N 1.267 121.723 120.400 0.093 0.000 2.350 924 D HA 0.060 4.700 4.640 0.000 0.000 0.216 924 D C 1.249 177.571 176.300 0.037 0.000 0.968 924 D CA 0.635 54.673 54.000 0.063 0.000 0.894 924 D CB -0.231 40.609 40.800 0.066 0.000 0.909 924 D HN 0.390 nan 8.370 nan 0.000 0.520 925 M N -0.377 119.256 119.600 0.055 0.000 2.568 925 M HA 0.064 4.544 4.480 0.000 0.000 0.226 925 M C -0.113 176.217 176.300 0.049 0.000 1.148 925 M CA 0.028 55.322 55.300 -0.010 0.000 1.007 925 M CB -0.984 31.601 32.600 -0.024 0.000 1.651 925 M HN -0.023 nan 8.290 nan 0.000 0.488 926 Y N -0.443 119.823 120.300 -0.056 0.000 2.425 926 Y HA 0.475 5.025 4.550 0.000 0.000 0.344 926 Y C -0.854 174.986 175.900 -0.100 0.000 0.969 926 Y CA -0.849 57.224 58.100 -0.044 0.000 1.052 926 Y CB 1.444 39.932 38.460 0.047 0.000 1.215 926 Y HN -0.111 nan 8.280 nan 0.000 0.451 927 T N 8.752 122.801 114.554 -0.842 0.000 2.801 927 T HA 0.273 4.623 4.350 0.000 0.000 0.306 927 T C -2.651 171.225 174.700 -1.374 0.000 1.020 927 T CA -1.512 59.995 62.100 -0.989 0.000 0.948 927 T CB 0.985 69.366 68.868 -0.812 0.000 0.962 927 T HN 0.447 nan 8.240 nan 0.000 0.465 928 P HA 0.082 nan 4.420 nan 0.000 0.238 928 P C -0.584 176.554 177.300 -0.270 0.000 1.714 928 P CA -0.381 62.298 63.100 -0.701 0.000 0.908 928 P CB -0.837 30.601 31.700 -0.436 0.000 1.893 929 Y N -0.399 119.806 120.300 -0.159 0.000 2.717 929 Y HA -0.098 4.452 4.550 0.000 0.000 0.330 929 Y C 2.278 178.218 175.900 0.067 0.000 1.217 929 Y CA -0.402 57.682 58.100 -0.027 0.000 1.506 929 Y CB 0.459 38.858 38.460 -0.101 0.000 1.268 929 Y HN -0.113 nan 8.280 nan 0.000 0.561 930 V N 4.045 124.165 119.914 0.344 0.000 2.278 930 V HA -0.330 3.790 4.120 0.000 0.000 0.251 930 V C 0.629 176.888 176.094 0.274 0.000 1.062 930 V CA 1.609 64.093 62.300 0.306 0.000 1.038 930 V CB -0.534 31.504 31.823 0.359 0.000 0.646 930 V HN 0.608 nan 8.190 nan 0.000 0.447 931 F N 3.481 123.483 119.950 0.087 0.000 2.391 931 F HA 0.496 5.023 4.527 0.000 0.000 0.359 931 F C -2.326 173.492 175.800 0.029 0.000 1.122 931 F CA -3.151 54.853 58.000 0.007 0.000 1.120 931 F CB 0.943 39.852 39.000 -0.151 0.000 1.142 931 F HN 0.002 nan 8.300 nan 0.000 0.483 932 P HA 0.350 nan 4.420 nan 0.000 0.278 932 P C -1.224 175.855 177.300 -0.368 0.000 1.238 932 P CA -0.191 62.716 63.100 -0.320 0.000 0.794 932 P CB 1.695 33.226 31.700 -0.281 0.000 0.955 933 S N -0.232 115.417 115.700 -0.085 0.000 2.683 933 S HA 0.378 4.848 4.470 0.000 0.000 0.269 933 S C -0.837 173.779 174.600 0.028 0.000 1.165 933 S CA -0.913 57.276 58.200 -0.018 0.000 0.840 933 S CB 0.226 63.456 63.200 0.050 0.000 1.169 933 S HN 0.357 nan 8.310 nan 0.000 0.490 934 E N 1.304 121.524 120.200 0.034 0.000 2.652 934 E HA 0.323 4.673 4.350 0.000 0.000 0.255 934 E C -0.085 176.573 176.600 0.096 0.000 0.952 934 E CA 1.093 57.531 56.400 0.063 0.000 0.947 934 E CB -0.495 29.261 29.700 0.092 0.000 0.912 934 E HN 0.788 nan 8.360 nan 0.000 0.489 935 N N 1.590 120.378 118.700 0.148 0.000 3.106 935 N HA 0.523 5.263 4.740 0.000 0.000 0.253 935 N C 0.385 175.960 175.510 0.108 0.000 1.506 935 N CA -0.660 52.520 53.050 0.215 0.000 0.876 935 N CB 0.591 39.206 38.487 0.213 0.000 1.452 935 N HN 0.646 nan 8.380 nan 0.000 0.542 936 G N -1.366 107.458 108.800 0.040 0.000 2.189 936 G HA2 -0.290 3.670 3.960 0.000 0.000 0.267 936 G HA3 -0.290 3.670 3.960 0.000 0.000 0.267 936 G C -0.109 174.558 174.900 -0.389 0.000 0.975 936 G CA 0.559 45.569 45.100 -0.150 0.000 0.644 936 G HN 0.693 nan 8.290 nan 0.000 0.537 937 L N 1.204 122.134 121.223 -0.489 0.000 2.529 937 L HA 0.436 4.776 4.340 0.000 0.000 0.287 937 L C 0.831 177.137 176.870 -0.940 0.000 1.241 937 L CA 0.526 54.833 54.840 -0.888 0.000 0.857 937 L CB 0.366 41.588 42.059 -1.395 0.000 1.113 937 L HN 0.351 nan 8.230 nan 0.000 0.504 938 R N 3.879 123.734 120.500 -1.076 0.000 2.575 938 R HA 0.488 4.828 4.340 0.000 0.000 0.293 938 R C -1.155 174.767 176.300 -0.631 0.000 0.983 938 R CA -0.685 54.898 56.100 -0.862 0.000 0.887 938 R CB 0.777 30.539 30.300 -0.896 0.000 1.184 938 R HN 0.570 nan 8.270 nan 0.000 0.445 939 C N -0.227 118.855 119.300 -0.365 0.000 2.354 939 C HA 0.687 5.147 4.460 0.000 0.000 0.381 939 C C 1.315 176.272 174.990 -0.054 0.000 1.240 939 C CA 0.224 59.118 59.018 -0.207 0.000 2.089 939 C CB 1.099 28.744 27.740 -0.158 0.000 2.234 939 C HN 1.065 nan 8.230 nan 0.000 0.544 940 G N 2.013 110.794 108.800 -0.033 0.000 2.366 940 G HA2 -0.170 3.790 3.960 0.000 0.000 0.299 940 G HA3 -0.170 3.790 3.960 0.000 0.000 0.299 940 G C -0.133 174.822 174.900 0.091 0.000 1.020 940 G CA 0.484 45.613 45.100 0.048 0.000 1.026 940 G HN 0.812 nan 8.290 nan 0.000 0.512 941 T N -0.296 114.180 114.554 -0.131 0.000 2.829 941 T HA 0.543 4.893 4.350 0.000 0.000 0.282 941 T C 1.431 175.807 174.700 -0.539 0.000 0.990 941 T CA -0.603 61.364 62.100 -0.222 0.000 1.028 941 T CB 1.543 70.250 68.868 -0.267 0.000 0.951 941 T HN 0.343 nan 8.240 nan 0.000 0.460 942 R N 1.157 121.567 120.500 -0.151 0.000 2.279 942 R HA 0.267 4.607 4.340 0.000 0.000 0.195 942 R C 0.439 176.798 176.300 0.099 0.000 0.905 942 R CA 0.144 56.227 56.100 -0.029 0.000 1.044 942 R CB 0.909 31.313 30.300 0.173 0.000 1.056 942 R HN 0.614 nan 8.270 nan 0.000 0.535 943 E N 1.016 121.291 120.200 0.125 0.000 2.321 943 E HA 0.283 4.633 4.350 0.000 0.000 0.281 943 E C -2.022 174.746 176.600 0.281 0.000 0.910 943 E CA -0.592 55.957 56.400 0.249 0.000 0.770 943 E CB 1.798 31.608 29.700 0.184 0.000 1.225 943 E HN -0.103 nan 8.360 nan 0.000 0.417 944 L N 4.064 125.507 121.223 0.367 0.000 2.410 944 L HA 0.608 4.948 4.340 0.000 0.000 0.270 944 L C -1.925 175.180 176.870 0.391 0.000 0.983 944 L CA -0.414 54.593 54.840 0.279 0.000 0.822 944 L CB 1.878 43.943 42.059 0.011 0.000 1.285 944 L HN 0.433 nan 8.230 nan 0.000 0.409 945 N N 4.261 123.156 118.700 0.325 0.000 2.399 945 N HA 0.424 5.164 4.740 0.000 0.000 0.284 945 N C -2.037 173.724 175.510 0.419 0.000 1.025 945 N CA -0.207 53.039 53.050 0.325 0.000 0.885 945 N CB 2.025 40.640 38.487 0.214 0.000 1.339 945 N HN 0.619 nan 8.380 nan 0.000 0.487 946 Y N 1.388 121.859 120.300 0.284 0.000 2.323 946 Y HA 0.438 4.988 4.550 0.000 0.000 0.322 946 Y C 0.563 176.603 175.900 0.233 0.000 1.133 946 Y CA 0.178 58.429 58.100 0.253 0.000 1.093 946 Y CB 0.600 39.240 38.460 0.300 0.000 1.203 946 Y HN 0.825 nan 8.280 nan 0.000 0.427 947 G N 6.338 115.049 108.800 -0.148 0.000 2.527 947 G HA2 -0.279 3.681 3.960 0.000 0.000 0.268 947 G HA3 -0.279 3.681 3.960 0.000 0.000 0.268 947 G C -1.883 172.956 174.900 -0.102 0.000 1.175 947 G CA -0.030 44.961 45.100 -0.181 0.000 0.962 947 G HN 0.547 nan 8.290 nan 0.000 0.560 948 P HA 0.144 nan 4.420 nan 0.000 0.241 948 P C 0.458 177.513 177.300 -0.408 0.000 1.191 948 P CA 0.968 63.889 63.100 -0.299 0.000 0.771 948 P CB -0.057 31.389 31.700 -0.424 0.000 0.929 949 H N -0.274 118.748 119.070 -0.080 0.000 2.505 949 H HA 0.527 5.083 4.556 0.000 0.000 0.351 949 H C 0.314 175.422 175.328 -0.368 0.000 1.151 949 H CA -0.124 55.760 56.048 -0.273 0.000 1.339 949 H CB 0.830 30.243 29.762 -0.581 0.000 1.483 949 H HN -0.067 nan 8.280 nan 0.000 0.558 950 Q N 2.161 121.708 119.800 -0.423 0.000 2.284 950 Q HA 0.258 4.598 4.340 0.000 0.000 0.269 950 Q C -1.954 173.804 176.000 -0.403 0.000 1.026 950 Q CA -0.753 54.901 55.803 -0.249 0.000 0.831 950 Q CB 1.755 30.484 28.738 -0.015 0.000 1.322 950 Q HN 0.625 nan 8.270 nan 0.000 0.419 951 W N 3.669 124.974 121.300 0.009 0.000 2.819 951 W HA 0.621 5.281 4.660 0.000 0.000 0.337 951 W C -0.560 176.058 176.519 0.164 0.000 1.077 951 W CA -0.799 56.518 57.345 -0.045 0.000 1.226 951 W CB 2.203 31.449 29.460 -0.357 0.000 1.419 951 W HN 0.651 nan 8.180 nan 0.000 0.502 952 R N 0.973 121.731 120.500 0.430 0.000 2.725 952 R HA 0.877 5.217 4.340 0.000 0.000 0.277 952 R C 0.079 176.665 176.300 0.475 0.000 0.987 952 R CA -0.685 55.683 56.100 0.446 0.000 0.901 952 R CB 2.298 32.771 30.300 0.287 0.000 1.207 952 R HN 0.690 nan 8.270 nan 0.000 0.463 953 G N 0.629 109.744 108.800 0.524 0.000 2.534 953 G HA2 0.041 4.001 3.960 0.000 0.000 0.142 953 G HA3 0.041 4.001 3.960 0.000 0.000 0.142 953 G C -1.703 173.380 174.900 0.304 0.000 1.178 953 G CA -0.398 44.964 45.100 0.436 0.000 1.037 953 G HN 0.512 nan 8.290 nan 0.000 0.474 954 D N 0.485 121.087 120.400 0.336 0.000 2.330 954 D HA 0.586 5.226 4.640 0.000 0.000 0.249 954 D C -0.892 175.453 176.300 0.074 0.000 1.306 954 D CA -0.263 53.781 54.000 0.075 0.000 0.956 954 D CB 0.678 41.527 40.800 0.082 0.000 1.261 954 D HN 0.440 nan 8.370 nan 0.000 0.544 955 F N 0.017 119.965 119.950 -0.003 0.000 2.950 955 F HA 0.620 5.147 4.527 0.000 0.000 0.327 955 F C -1.084 174.683 175.800 -0.055 0.000 1.197 955 F CA -1.012 56.926 58.000 -0.103 0.000 0.954 955 F CB 0.707 39.632 39.000 -0.124 0.000 1.442 955 F HN -0.155 nan 8.300 nan 0.000 0.509 956 Q N 1.351 121.236 119.800 0.142 0.000 2.413 956 Q HA 0.677 5.017 4.340 0.000 0.000 0.276 956 Q C -1.409 174.678 176.000 0.146 0.000 1.099 956 Q CA -0.543 55.258 55.803 -0.004 0.000 0.814 956 Q CB 2.916 31.523 28.738 -0.219 0.000 1.379 956 Q HN 0.923 nan 8.270 nan 0.000 0.436 957 F N -1.145 118.684 119.950 -0.200 0.000 2.779 957 F HA 0.781 5.308 4.527 0.000 0.000 0.316 957 F C -1.802 173.790 175.800 -0.347 0.000 1.164 957 F CA -1.007 56.842 58.000 -0.252 0.000 0.924 957 F CB 1.519 40.390 39.000 -0.215 0.000 1.348 957 F HN 0.629 nan 8.300 nan 0.000 0.467 958 N N 1.063 119.633 118.700 -0.216 0.000 2.494 958 N HA 0.723 5.463 4.740 0.000 0.000 0.270 958 N C -2.164 173.331 175.510 -0.026 0.000 1.285 958 N CA -0.704 52.183 53.050 -0.271 0.000 0.812 958 N CB 2.497 40.814 38.487 -0.282 0.000 1.557 958 N HN 1.156 nan 8.380 nan 0.000 0.487 959 I N 0.244 120.779 120.570 -0.057 0.000 2.685 959 I HA 0.629 4.799 4.170 0.000 0.000 0.289 959 I C -1.380 174.695 176.117 -0.070 0.000 1.292 959 I CA 0.089 61.335 61.300 -0.090 0.000 1.050 959 I CB 1.342 39.230 38.000 -0.187 0.000 1.301 959 I HN 1.089 nan 8.210 nan 0.000 0.425 960 S N 6.421 122.095 115.700 -0.042 0.000 2.714 960 S HA 0.531 5.001 4.470 0.000 0.000 0.280 960 S C -0.436 174.108 174.600 -0.094 0.000 1.200 960 S CA -0.949 57.225 58.200 -0.044 0.000 0.900 960 S CB 1.599 64.843 63.200 0.073 0.000 1.235 960 S HN 0.635 nan 8.310 nan 0.000 0.512 961 R N 0.033 120.304 120.500 -0.381 0.000 2.466 961 R HA 0.300 4.640 4.340 0.000 0.000 0.279 961 R C -1.070 174.883 176.300 -0.579 0.000 0.976 961 R CA 0.167 55.970 56.100 -0.495 0.000 1.081 961 R CB -0.625 29.226 30.300 -0.748 0.000 1.215 961 R HN 0.626 nan 8.270 nan 0.000 0.546 962 Y N 0.162 120.465 120.300 0.005 0.000 2.391 962 Y HA 0.237 4.787 4.550 0.000 0.000 0.341 962 Y C 0.737 176.403 175.900 -0.390 0.000 0.965 962 Y CA -1.178 56.832 58.100 -0.149 0.000 1.067 962 Y CB 1.498 39.813 38.460 -0.241 0.000 1.199 962 Y HN -0.083 nan 8.280 nan 0.000 0.450 963 S N 1.608 117.002 115.700 -0.510 0.000 2.593 963 S HA 0.065 4.535 4.470 0.000 0.000 0.269 963 S C 0.852 175.148 174.600 -0.505 0.000 1.334 963 S CA -0.657 56.902 58.200 -1.069 0.000 1.015 963 S CB 1.144 63.761 63.200 -0.972 0.000 0.912 963 S HN 0.767 nan 8.310 nan 0.000 0.541 964 Q N 0.571 120.069 119.800 -0.503 0.000 2.124 964 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 964 Q C 2.177 178.058 176.000 -0.198 0.000 0.977 964 Q CA 1.641 57.288 55.803 -0.259 0.000 0.850 964 Q CB -0.440 28.181 28.738 -0.195 0.000 0.901 964 Q HN 0.924 nan 8.270 nan 0.000 0.429 965 Q N 0.715 120.373 119.800 -0.236 0.000 2.084 965 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 965 Q C 2.063 177.986 176.000 -0.127 0.000 0.978 965 Q CA 1.299 57.015 55.803 -0.146 0.000 0.844 965 Q CB 0.037 28.707 28.738 -0.114 0.000 0.898 965 Q HN 0.415 nan 8.270 nan 0.000 0.426 966 Q N 0.111 119.820 119.800 -0.151 0.000 2.030 966 Q HA -0.177 4.163 4.340 0.000 0.000 0.204 966 Q C 2.359 178.273 176.000 -0.144 0.000 0.986 966 Q CA 1.486 57.217 55.803 -0.121 0.000 0.843 966 Q CB -0.132 28.530 28.738 -0.126 0.000 0.904 966 Q HN 0.459 nan 8.270 nan 0.000 0.420 967 L N 0.084 121.210 121.223 -0.162 0.000 2.042 967 L HA -0.239 4.101 4.340 0.000 0.000 0.210 967 L C 2.708 179.471 176.870 -0.178 0.000 1.076 967 L CA 1.340 56.074 54.840 -0.178 0.000 0.749 967 L CB -0.412 41.568 42.059 -0.133 0.000 0.893 967 L HN 0.415 nan 8.230 nan 0.000 0.432 968 M N -0.464 119.057 119.600 -0.132 0.000 2.296 968 M HA -0.183 4.297 4.480 0.000 0.000 0.265 968 M C 1.681 177.916 176.300 -0.108 0.000 1.064 968 M CA 1.677 56.911 55.300 -0.110 0.000 1.109 968 M CB 0.091 32.633 32.600 -0.098 0.000 1.396 968 M HN 0.199 nan 8.290 nan 0.000 0.430 969 E N -0.765 119.374 120.200 -0.102 0.000 2.447 969 E HA 0.053 4.403 4.350 0.000 0.000 0.195 969 E C -0.219 176.339 176.600 -0.070 0.000 1.028 969 E CA 0.155 56.514 56.400 -0.069 0.000 0.876 969 E CB 0.469 30.142 29.700 -0.045 0.000 0.885 969 E HN 0.337 nan 8.360 nan 0.000 0.500 970 T N 0.558 115.039 114.554 -0.121 0.000 2.799 970 T HA 0.086 4.436 4.350 0.000 0.000 0.286 970 T C 1.127 175.725 174.700 -0.171 0.000 0.973 970 T CA -0.359 61.669 62.100 -0.122 0.000 1.035 970 T CB 1.618 70.393 68.868 -0.154 0.000 0.932 970 T HN 0.039 nan 8.240 nan 0.000 0.469 971 S N 1.871 117.555 115.700 -0.027 0.000 2.501 971 S HA 0.071 4.541 4.470 0.000 0.000 0.220 971 S C 0.274 174.907 174.600 0.055 0.000 0.997 971 S CA 0.251 58.481 58.200 0.049 0.000 0.919 971 S CB -0.198 63.199 63.200 0.327 0.000 0.778 971 S HN 0.744 nan 8.310 nan 0.000 0.523 972 H N 0.382 119.441 119.070 -0.019 0.000 2.806 972 H HA 0.512 5.068 4.556 0.000 0.000 0.367 972 H C 0.938 176.265 175.328 -0.002 0.000 1.136 972 H CA -0.740 55.376 56.048 0.114 0.000 1.178 972 H CB 1.509 31.410 29.762 0.232 0.000 1.718 972 H HN 0.107 nan 8.280 nan 0.000 0.540 973 R N 1.411 122.050 120.500 0.231 0.000 2.117 973 R HA -0.219 4.121 4.340 0.000 0.000 0.243 973 R C 1.403 177.741 176.300 0.064 0.000 1.143 973 R CA 2.129 58.294 56.100 0.109 0.000 0.968 973 R CB -0.629 29.749 30.300 0.131 0.000 0.863 973 R HN 0.785 nan 8.270 nan 0.000 0.444 974 H N 1.593 120.677 119.070 0.023 0.000 2.489 974 H HA -0.020 4.536 4.556 0.000 0.000 0.293 974 H C 1.621 176.882 175.328 -0.111 0.000 1.066 974 H CA 1.154 57.167 56.048 -0.058 0.000 1.305 974 H CB -0.282 29.425 29.762 -0.093 0.000 1.386 974 H HN 0.342 nan 8.280 nan 0.000 0.551 975 L N 0.848 121.679 121.223 -0.654 0.000 2.599 975 L HA 0.192 4.532 4.340 0.000 0.000 0.230 975 L C 0.525 177.304 176.870 -0.152 0.000 1.141 975 L CA -0.077 54.501 54.840 -0.437 0.000 0.877 975 L CB -0.116 41.685 42.059 -0.430 0.000 1.009 975 L HN 0.036 nan 8.230 nan 0.000 0.447 976 L N 0.340 121.467 121.223 -0.159 0.000 2.399 976 L HA 0.324 4.664 4.340 0.000 0.000 0.266 976 L C 0.108 176.998 176.870 0.033 0.000 1.114 976 L CA -0.460 54.283 54.840 -0.162 0.000 0.804 976 L CB 0.689 42.459 42.059 -0.481 0.000 1.146 976 L HN 0.124 nan 8.230 nan 0.000 0.451 977 H N 0.585 119.740 119.070 0.141 0.000 2.806 977 H HA 0.640 5.196 4.556 0.000 0.000 0.367 977 H C -0.848 174.584 175.328 0.173 0.000 1.136 977 H CA -1.227 54.908 56.048 0.145 0.000 1.178 977 H CB 1.301 31.087 29.762 0.039 0.000 1.718 977 H HN 0.714 nan 8.280 nan 0.000 0.540 978 A N 2.833 125.686 122.820 0.055 0.000 2.531 978 A HA 0.095 4.415 4.320 0.000 0.000 0.236 978 A C 0.368 177.920 177.584 -0.052 0.000 1.062 978 A CA -0.071 51.821 52.037 -0.242 0.000 0.760 978 A CB -0.009 18.859 19.000 -0.219 0.000 0.995 978 A HN 0.814 nan 8.150 nan 0.000 0.501 979 E N 0.495 120.619 120.200 -0.127 0.000 2.292 979 E HA 0.131 4.481 4.350 0.000 0.000 0.258 979 E C 0.709 177.297 176.600 -0.019 0.000 1.115 979 E CA -0.699 55.728 56.400 0.044 0.000 0.929 979 E CB 0.659 30.482 29.700 0.204 0.000 1.161 979 E HN 0.826 nan 8.360 nan 0.000 0.453 980 E N 0.278 120.471 120.200 -0.012 0.000 2.065 980 E HA -0.217 4.133 4.350 0.000 0.000 0.201 980 E C 0.922 177.453 176.600 -0.114 0.000 1.016 980 E CA 1.767 58.129 56.400 -0.063 0.000 0.818 980 E CB 0.016 29.684 29.700 -0.054 0.000 0.749 980 E HN 0.571 nan 8.360 nan 0.000 0.453 981 G N -1.408 107.273 108.800 -0.198 0.000 3.387 981 G HA2 0.249 4.209 3.960 0.000 0.000 0.194 981 G HA3 0.249 4.209 3.960 0.000 0.000 0.194 981 G C -0.643 174.152 174.900 -0.174 0.000 1.417 981 G CA -0.073 44.922 45.100 -0.175 0.000 0.777 981 G HN 0.120 nan 8.290 nan 0.000 0.721 982 T N 0.410 114.851 114.554 -0.189 0.000 2.841 982 T HA 0.397 4.747 4.350 0.000 0.000 0.285 982 T C -1.583 172.970 174.700 -0.245 0.000 0.991 982 T CA -0.120 61.900 62.100 -0.134 0.000 0.966 982 T CB 1.652 70.547 68.868 0.044 0.000 0.962 982 T HN 0.322 nan 8.240 nan 0.000 0.438 983 W N 3.002 124.215 121.300 -0.145 0.000 2.351 983 W HA 0.636 5.296 4.660 0.000 0.000 0.311 983 W C -0.414 175.988 176.519 -0.194 0.000 1.168 983 W CA -0.740 56.518 57.345 -0.146 0.000 1.200 983 W CB 0.916 30.301 29.460 -0.126 0.000 1.221 983 W HN 0.338 nan 8.180 nan 0.000 0.519 984 L N 5.493 126.779 121.223 0.106 0.000 2.381 984 L HA 0.485 4.825 4.340 0.000 0.000 0.274 984 L C -1.070 175.734 176.870 -0.110 0.000 0.988 984 L CA -0.533 54.237 54.840 -0.117 0.000 0.824 984 L CB 1.021 42.880 42.059 -0.333 0.000 1.263 984 L HN 0.329 nan 8.230 nan 0.000 0.410 985 N N 6.911 125.527 118.700 -0.139 0.000 2.443 985 N HA 0.498 5.238 4.740 0.000 0.000 0.269 985 N C -1.214 174.181 175.510 -0.193 0.000 0.985 985 N CA -0.294 52.664 53.050 -0.154 0.000 0.921 985 N CB 2.310 40.726 38.487 -0.118 0.000 1.195 985 N HN 0.502 nan 8.380 nan 0.000 0.492 986 I N 1.687 122.098 120.570 -0.265 0.000 2.382 986 I HA 0.261 4.431 4.170 0.000 0.000 0.285 986 I C -0.657 175.298 176.117 -0.271 0.000 1.007 986 I CA -0.615 60.499 61.300 -0.309 0.000 1.142 986 I CB 1.606 39.286 38.000 -0.533 0.000 1.289 986 I HN 0.140 nan 8.210 nan 0.000 0.453 987 D N 4.601 124.872 120.400 -0.215 0.000 2.217 987 D HA 0.307 4.947 4.640 0.000 0.000 0.243 987 D C 1.020 177.052 176.300 -0.448 0.000 1.054 987 D CA -0.192 53.629 54.000 -0.298 0.000 0.838 987 D CB 2.554 43.271 40.800 -0.138 0.000 1.162 987 D HN 0.709 nan 8.370 nan 0.000 0.472 988 G N 1.244 109.504 108.800 -0.901 0.000 2.430 988 G HA2 0.037 3.997 3.960 0.000 0.000 0.216 988 G HA3 0.037 3.997 3.960 0.000 0.000 0.216 988 G C 0.063 174.103 174.900 -1.434 0.000 1.146 988 G CA 0.488 44.774 45.100 -1.357 0.000 0.793 988 G HN 0.386 nan 8.290 nan 0.000 0.537 989 F N -1.809 117.934 119.950 -0.345 0.000 2.654 989 F HA 0.544 5.071 4.527 0.000 0.000 0.308 989 F C -0.697 175.006 175.800 -0.161 0.000 1.108 989 F CA -1.215 56.665 58.000 -0.199 0.000 0.957 989 F CB 1.977 40.800 39.000 -0.296 0.000 1.309 989 F HN -0.074 nan 8.300 nan 0.000 0.446 990 H N 2.543 121.631 119.070 0.029 0.000 2.954 990 H HA 0.388 4.944 4.556 0.000 0.000 0.361 990 H C -1.126 174.226 175.328 0.041 0.000 1.122 990 H CA -0.745 55.290 56.048 -0.022 0.000 1.217 990 H CB 2.394 32.123 29.762 -0.056 0.000 1.776 990 H HN 0.864 nan 8.280 nan 0.000 0.533 991 M N 2.766 122.329 119.600 -0.062 0.000 2.250 991 M HA 0.249 4.729 4.480 0.000 0.000 0.325 991 M C 0.556 176.976 176.300 0.201 0.000 1.084 991 M CA 0.478 55.805 55.300 0.044 0.000 1.161 991 M CB 0.354 32.875 32.600 -0.131 0.000 1.481 991 M HN 0.728 nan 8.290 nan 0.000 0.449 992 G N 2.902 111.794 108.800 0.154 0.000 2.684 992 G HA2 0.324 4.284 3.960 0.000 0.000 0.255 992 G HA3 0.324 4.284 3.960 0.000 0.000 0.255 992 G C 0.550 175.428 174.900 -0.037 0.000 1.219 992 G CA -0.285 44.833 45.100 0.029 0.000 0.901 992 G HN 0.993 nan 8.290 nan 0.000 0.548 993 I N -2.466 118.030 120.570 -0.122 0.000 3.939 993 I HA 0.443 4.613 4.170 0.000 0.000 0.313 993 I C 1.136 177.182 176.117 -0.119 0.000 1.274 993 I CA 0.503 61.704 61.300 -0.165 0.000 1.301 993 I CB -0.361 37.452 38.000 -0.312 0.000 1.105 993 I HN 0.964 nan 8.210 nan 0.000 0.427 994 G N 1.669 110.415 108.800 -0.090 0.000 2.645 994 G HA2 0.039 3.999 3.960 0.000 0.000 0.239 994 G HA3 0.039 3.999 3.960 0.000 0.000 0.239 994 G C 0.570 175.456 174.900 -0.022 0.000 1.331 994 G CA 0.121 45.206 45.100 -0.026 0.000 0.890 994 G HN 1.411 nan 8.290 nan 0.000 0.572 995 G N -2.287 106.512 108.800 -0.001 0.000 2.559 995 G HA2 0.045 4.005 3.960 0.000 0.000 0.202 995 G HA3 0.045 4.005 3.960 0.000 0.000 0.202 995 G C 0.586 175.515 174.900 0.048 0.000 0.992 995 G CA 0.917 46.022 45.100 0.008 0.000 0.764 995 G HN 0.970 nan 8.290 nan 0.000 0.525 996 D N 1.224 121.666 120.400 0.070 0.000 2.228 996 D HA 0.131 4.771 4.640 0.000 0.000 0.203 996 D C 0.947 177.240 176.300 -0.012 0.000 0.988 996 D CA 2.112 56.208 54.000 0.160 0.000 0.864 996 D CB 0.129 41.039 40.800 0.184 0.000 0.928 996 D HN 0.846 nan 8.370 nan 0.000 0.469 997 D N -3.801 116.380 120.400 -0.366 0.000 2.694 997 D HA 0.266 4.906 4.640 0.000 0.000 0.260 997 D C -0.873 174.841 176.300 -0.976 0.000 1.250 997 D CA -0.733 52.585 54.000 -1.137 0.000 0.763 997 D CB 0.762 40.441 40.800 -1.869 0.000 1.311 997 D HN -0.293 nan 8.370 nan 0.000 0.420 998 S N -0.143 114.765 115.700 -1.319 0.000 2.588 998 S HA 0.255 4.725 4.470 0.000 0.000 0.245 998 S C -0.625 174.039 174.600 0.106 0.000 1.021 998 S CA -0.716 57.341 58.200 -0.240 0.000 1.006 998 S CB -0.617 62.752 63.200 0.281 0.000 0.830 998 S HN 0.597 nan 8.310 nan 0.000 0.468 999 W N 1.118 122.350 121.300 -0.113 0.000 1.832 999 W HA 0.598 5.258 4.660 0.000 0.000 0.297 999 W C -0.060 176.398 176.519 -0.102 0.000 0.891 999 W CA -0.704 56.569 57.345 -0.120 0.000 2.000 999 W CB -0.578 28.768 29.460 -0.189 0.000 1.081 999 W HN 0.175 nan 8.180 nan 0.000 0.499 1000 S N -1.292 114.308 115.700 -0.168 0.000 2.595 1000 S HA 0.582 5.052 4.470 0.000 0.000 0.270 1000 S C -3.255 171.275 174.600 -0.117 0.000 1.145 1000 S CA -1.478 56.641 58.200 -0.134 0.000 0.825 1000 S CB 1.510 64.632 63.200 -0.129 0.000 1.107 1000 S HN -0.195 nan 8.310 nan 0.000 0.461 1001 P HA 0.270 nan 4.420 nan 0.000 0.270 1001 P C 0.262 177.592 177.300 0.050 0.000 1.242 1001 P CA -0.108 62.998 63.100 0.010 0.000 0.768 1001 P CB 0.699 32.299 31.700 -0.167 0.000 0.820 1002 S N 1.065 116.826 115.700 0.102 0.000 2.846 1002 S HA 0.169 4.639 4.470 0.000 0.000 0.249 1002 S C 0.161 174.831 174.600 0.117 0.000 1.028 1002 S CA -0.350 57.886 58.200 0.061 0.000 1.043 1002 S CB -0.260 62.920 63.200 -0.034 0.000 0.990 1002 S HN 0.099 nan 8.310 nan 0.000 0.564 1003 V N 4.145 124.177 119.914 0.197 0.000 2.385 1003 V HA 0.457 4.577 4.120 0.000 0.000 0.269 1003 V C 0.789 177.042 176.094 0.264 0.000 1.043 1003 V CA -0.395 62.023 62.300 0.197 0.000 0.906 1003 V CB 0.764 32.669 31.823 0.137 0.000 0.995 1003 V HN 0.676 nan 8.190 nan 0.000 0.467 1004 S N 4.673 120.558 115.700 0.309 0.000 2.572 1004 S HA 0.330 4.800 4.470 0.000 0.000 0.279 1004 S C 1.507 176.267 174.600 0.267 0.000 1.341 1004 S CA 0.033 58.410 58.200 0.296 0.000 1.043 1004 S CB 1.399 64.741 63.200 0.235 0.000 0.887 1004 S HN 1.063 nan 8.310 nan 0.000 0.516 1005 A N 2.154 125.070 122.820 0.159 0.000 1.958 1005 A HA -0.188 4.132 4.320 0.000 0.000 0.221 1005 A C 1.915 179.508 177.584 0.016 0.000 1.178 1005 A CA 1.968 54.075 52.037 0.117 0.000 0.642 1005 A CB -1.169 17.879 19.000 0.080 0.000 0.816 1005 A HN 0.994 nan 8.150 nan 0.000 0.453 1006 E N -1.213 118.899 120.200 -0.147 0.000 2.409 1006 E HA -0.085 4.265 4.350 0.000 0.000 0.198 1006 E C 0.775 176.996 176.600 -0.632 0.000 1.024 1006 E CA 0.989 57.132 56.400 -0.428 0.000 0.861 1006 E CB -0.312 28.974 29.700 -0.691 0.000 0.788 1006 E HN 0.793 nan 8.360 nan 0.000 0.521 1007 F N 0.868 120.871 119.950 0.087 0.000 2.678 1007 F HA 0.199 4.726 4.527 0.000 0.000 0.305 1007 F C 0.666 176.508 175.800 0.071 0.000 1.090 1007 F CA -0.453 57.598 58.000 0.084 0.000 1.272 1007 F CB 0.371 39.419 39.000 0.080 0.000 1.060 1007 F HN -0.160 nan 8.300 nan 0.000 0.576 1008 Q N 1.191 121.111 119.800 0.200 0.000 2.227 1008 Q HA 0.408 4.748 4.340 0.000 0.000 0.245 1008 Q C -0.225 175.819 176.000 0.073 0.000 0.926 1008 Q CA -0.539 55.367 55.803 0.172 0.000 0.895 1008 Q CB 1.829 30.767 28.738 0.334 0.000 1.230 1008 Q HN 0.236 nan 8.270 nan 0.000 0.450 1009 L N 2.357 123.595 121.223 0.025 0.000 2.422 1009 L HA 0.117 4.457 4.340 0.000 0.000 0.256 1009 L C 0.611 177.381 176.870 -0.167 0.000 1.202 1009 L CA -0.064 54.749 54.840 -0.045 0.000 1.119 1009 L CB -0.294 41.638 42.059 -0.212 0.000 1.383 1009 L HN 0.732 nan 8.230 nan 0.000 0.411 1010 S N -1.063 114.499 115.700 -0.230 0.000 2.539 1010 S HA 0.115 4.585 4.470 0.000 0.000 0.221 1010 S C 1.789 176.293 174.600 -0.161 0.000 0.987 1010 S CA 0.219 58.113 58.200 -0.511 0.000 0.929 1010 S CB 0.682 63.636 63.200 -0.410 0.000 0.832 1010 S HN 0.513 nan 8.310 nan 0.000 0.492 1011 A N 1.849 124.621 122.820 -0.080 0.000 2.024 1011 A HA 0.354 4.675 4.320 0.000 0.000 0.220 1011 A C 2.202 179.631 177.584 -0.259 0.000 1.164 1011 A CA 1.627 53.487 52.037 -0.296 0.000 0.643 1011 A CB -1.401 17.147 19.000 -0.755 0.000 0.806 1011 A HN 1.528 nan 8.150 nan 0.000 0.451 1012 G N -1.858 106.880 108.800 -0.103 0.000 2.363 1012 G HA2 -0.281 3.679 3.960 0.000 0.000 0.238 1012 G HA3 -0.281 3.679 3.960 0.000 0.000 0.238 1012 G C 0.423 175.298 174.900 -0.042 0.000 1.062 1012 G CA 0.455 45.549 45.100 -0.009 0.000 0.629 1012 G HN 0.728 nan 8.290 nan 0.000 0.514 1013 R N -0.654 119.655 120.500 -0.319 0.000 2.574 1013 R HA 0.650 4.990 4.340 0.000 0.000 0.288 1013 R C -1.626 174.333 176.300 -0.569 0.000 1.004 1013 R CA -0.632 55.333 56.100 -0.224 0.000 0.895 1013 R CB 1.581 31.818 30.300 -0.106 0.000 1.191 1013 R HN 0.214 nan 8.270 nan 0.000 0.444 1014 Y N 0.315 120.611 120.300 -0.006 0.000 2.477 1014 Y HA 0.377 4.927 4.550 0.000 0.000 0.347 1014 Y C -0.370 175.703 175.900 0.287 0.000 0.981 1014 Y CA -0.899 57.193 58.100 -0.014 0.000 1.033 1014 Y CB 2.169 40.445 38.460 -0.307 0.000 1.245 1014 Y HN 0.591 nan 8.280 nan 0.000 0.455 1015 H N 2.596 121.967 119.070 0.501 0.000 2.771 1015 H HA 0.643 5.199 4.556 0.000 0.000 0.361 1015 H C -1.744 173.955 175.328 0.618 0.000 1.108 1015 H CA -0.981 55.327 56.048 0.434 0.000 1.201 1015 H CB 1.321 31.228 29.762 0.242 0.000 1.681 1015 H HN 0.597 nan 8.280 nan 0.000 0.534 1016 Y N 1.280 121.281 120.300 -0.499 0.000 2.656 1016 Y HA 0.526 5.076 4.550 0.000 0.000 0.334 1016 Y C -2.008 173.684 175.900 -0.346 0.000 1.179 1016 Y CA -1.096 56.826 58.100 -0.297 0.000 1.050 1016 Y CB 1.309 39.712 38.460 -0.095 0.000 1.308 1016 Y HN 0.701 nan 8.280 nan 0.000 0.456 1017 Q N 2.775 122.548 119.800 -0.044 0.000 2.416 1017 Q HA 0.806 5.146 4.340 0.000 0.000 0.281 1017 Q C -1.928 174.138 176.000 0.111 0.000 1.067 1017 Q CA -1.125 54.654 55.803 -0.040 0.000 0.809 1017 Q CB 3.650 32.407 28.738 0.030 0.000 1.418 1017 Q HN 0.770 nan 8.270 nan 0.000 0.411 1018 L N 0.822 122.093 121.223 0.079 0.000 2.465 1018 L HA 0.694 5.034 4.340 0.000 0.000 0.257 1018 L C -1.514 175.463 176.870 0.178 0.000 0.988 1018 L CA -1.131 53.793 54.840 0.140 0.000 0.827 1018 L CB 2.809 44.925 42.059 0.094 0.000 1.397 1018 L HN 0.475 nan 8.230 nan 0.000 0.410 1019 V N 1.427 121.481 119.914 0.233 0.000 2.531 1019 V HA 0.484 4.604 4.120 0.000 0.000 0.301 1019 V C -1.039 175.250 176.094 0.326 0.000 1.034 1019 V CA -0.452 62.003 62.300 0.257 0.000 0.865 1019 V CB 2.135 34.081 31.823 0.205 0.000 0.995 1019 V HN 0.638 nan 8.190 nan 0.000 0.424 1023 K N 0.000 120.337 120.400 -0.106 0.000 2.780 1023 K HA 0.000 4.320 4.320 0.000 0.000 0.191 1023 K CA 0.000 56.245 56.287 -0.070 0.000 0.838 1023 K CB 0.000 32.468 32.500 -0.053 0.000 1.064 1023 K HN 0.000 nan 8.250 nan 0.000 0.543